2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine

C23H28N8O — CID 176897131

IUPAC2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine
SMILESCOc1nc(N(C)CCN(C)C)ccc1Nc1nccc(-n2nc(C)c3ccccc32)n1
InChIInChI=1S/C23H28N8O/c1-16-17-8-6-7-9-19(17)31(28-16)21-12-13-24-23(27-21)25-18-10-11-20(26-22(18)32-5)30(4)15-14-29(2)3/h6-13H,14-15H2,1-5H3,(H,24,25,27)
InChIKeyYEUCMDMNQSJIAP-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.27
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine (PubChem CID 176897131) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine
PubChem CID176897131
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine
SMILESCOc1nc(N(C)CCN(C)C)ccc1Nc1nccc(-n2nc(C)c3ccccc32)n1
InChIInChI=1S/C23H28N8O/c1-16-17-8-6-7-9-19(17)31(28-16)21-12-13-24-23(27-21)25-18-10-11-20(26-22(18)32-5)30(4)15-14-29(2)3/h6-13H,14-15H2,1-5H3,(H,24,25,27)
InChIKeyYEUCMDMNQSJIAP-UHFFFAOYSA-N
XLogP3.27
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-N-[4-(3-cyclopropylindazol-1-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methylbenzene-1,4-diamine
CID 166694666
1-N-[4-(3-cyclopropylindazol-1-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine
CID 121280384
1-N-[2-(dimethylamino)ethyl]-4-N-(4-indazol-1-ylpyrimidin-2-yl)-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 121280273
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 137437454
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-6-methylpyrazolo[4,3-c]pyridin-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 137380708
N-[4-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)indazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 137437700
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 118913232
1-[2-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methylanilino]pyrimidin-4-yl]-3-methylbenzimidazol-2-one
CID 146585951
N-[5-[[4-(3-chloroindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 126649249
N-[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide
CID 118578885
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 118913163
1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;hydrochloride
CID 130206089

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine (CID 176897131) is 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine is COc1nc(N(C)CCN(C)C)ccc1Nc1nccc(-n2nc(C)c3ccccc32)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The InChIKey is YEUCMDMNQSJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-16-17-8-6-7-9-19(17)31(28-16)21-12-13-24-23(27-21)25-18-10-11-20(26-22(18)32-5)30(4)15-14-29(2)3/h6-13H,14-15H2,1-5H3,(H,24,25,27).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine has a molecular weight of 432.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-N-[4-(3-methylindazol-1-yl)pyrimidin-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 176897131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).