N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C21H22N4O2 — CID 133294514

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Nc1nc(-c3ccccn3)nc(C)c1C)C2
InChIInChI=1S/C21H22N4O2/c1-13-14(2)23-21(17-8-4-5-10-22-17)25-20(13)24-16-11-15-7-6-9-18(26-3)19(15)27-12-16/h4-10,16H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyZUZMMAHQXXXPLN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.58
Rot. Bonds4

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 133294514) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID133294514
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Nc1nc(-c3ccccn3)nc(C)c1C)C2
InChIInChI=1S/C21H22N4O2/c1-13-14(2)23-21(17-8-4-5-10-22-17)25-20(13)24-16-11-15-7-6-9-18(26-3)19(15)27-12-16/h4-10,16H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyZUZMMAHQXXXPLN-UHFFFAOYSA-N
XLogP3.58
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591393
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563768
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563974
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 112568537
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 133294514) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is COc1cccc2c1OCC(Nc1nc(-c3ccccn3)nc(C)c1C)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ZUZMMAHQXXXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-14(2)23-21(17-8-4-5-10-22-17)25-20(13)24-16-11-15-7-6-9-18(26-3)19(15)27-12-16/h4-10,16H,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 362.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133294514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).