4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

C13H13N5O — CID 14022911

IUPAC4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCOc1nc(C)nc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H13N5O/c1-9-17-12(11(6-14)13(18-9)19-2)16-8-10-4-3-5-15-7-10/h3-5,7H,8H2,1-2H3,(H,16,17,18)
InChIKeyJPMSBFRJIYBHAG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.67
Rot. Bonds4

About 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile (PubChem CID 14022911) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
PubChem CID14022911
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCOc1nc(C)nc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H13N5O/c1-9-17-12(11(6-14)13(18-9)19-2)16-8-10-4-3-5-15-7-10/h3-5,7H,8H2,1-2H3,(H,16,17,18)
InChIKeyJPMSBFRJIYBHAG-UHFFFAOYSA-N
XLogP1.67
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea
CID 137700577
4,6-dimethoxy-N-(3-(trifluoromethyl)pyridin-2-yl)pyrimidin-2-amine
CID 138755794
4-Methoxy-2-[(3-pyridinylmethyl)amino]nicotinonitrile
CID 1487431
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
CID 51050005
4-[(4-Hydroxycyclohexyl)amino]-6-[(4-methoxypyrimidin-5-yl)methylamino]pyridine-3-carbonitrile
CID 164624783
US9205085, Msx-200
CID 58757230
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridyl)-2-phenyl-pyrimidin-4-amine
CID 70681212
3-[5-Cyano-4-(2-methoxyethoxy)-2-pyridinyl]-1-(2-cyanopyrimidin-4-yl)-1-methylurea
CID 162650916
2-[(4-Methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912181
2-[(4-Methoxy-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
CID 164912206
2-(3-Fluorophenyl)-4-methoxypyrimidine
CID 58166154
2-Methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 14022910

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile (CID 14022911) is 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile is COc1nc(C)nc(NCc2cccnc2)c1C#N.
What is the InChIKey of 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The InChIKey is JPMSBFRJIYBHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-17-12(11(6-14)13(18-9)19-2)16-8-10-4-3-5-15-7-10/h3-5,7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 14022911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).