N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine

C14H16N4O — CID 117081123

IUPACN-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2ncc(C)c(NC3CC3)n2)cn1
InChIInChI=1S/C14H16N4O/c1-9-7-16-14(18-13(9)17-11-4-5-11)10-3-6-12(19-2)15-8-10/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyWILSHAWOSQRCQD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.43
Rot. Bonds4

About N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine

N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine (PubChem CID 117081123) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine
PubChem CID117081123
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2ncc(C)c(NC3CC3)n2)cn1
InChIInChI=1S/C14H16N4O/c1-9-7-16-14(18-13(9)17-11-4-5-11)10-3-6-12(19-2)15-8-10/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyWILSHAWOSQRCQD-UHFFFAOYSA-N
XLogP2.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
CID 155116906
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
9-cyclopentyl-2-(6-methoxy-3-pyridinyl)-8-(2,4,6-trifluorophenyl)purine
CID 68678479
[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566342
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine (CID 117081123) is N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine is COc1ccc(-c2ncc(C)c(NC3CC3)n2)cn1.
What is the InChIKey of N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine?
The InChIKey is WILSHAWOSQRCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-7-16-14(18-13(9)17-11-4-5-11)10-3-6-12(19-2)15-8-10/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18).
What are the key properties of N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine?
N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 117081123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).