4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

C18H18N6O — CID 67983896

IUPAC4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
InChIKeyQWQQTJZEYYGOQM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.03
Rot. Bonds6

About 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 67983896) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
PubChem CID67983896
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
InChIKeyQWQQTJZEYYGOQM-UHFFFAOYSA-N
XLogP3.03
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Fanotaprim
CID 134812633
SB-242235
CID 9863367
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Pik-iii
CID 67983123
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328073
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine
CID 9818573
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (CID 67983896) is 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is COc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is QWQQTJZEYYGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23).
What are the key properties of 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 334.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 67983896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).