2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile

C13H13N5O — CID 107544878

IUPAC2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCOc1ccc(Nc2nc(C)cc(C#N)n2)cn1
InChIInChI=1S/C13H13N5O/c1-3-19-12-5-4-10(8-15-12)17-13-16-9(2)6-11(7-14)18-13/h4-6,8H,3H2,1-2H3,(H,16,17,18)
InChIKeyPABGXLOVKYWHAE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds4

About 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544878) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544878
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCOc1ccc(Nc2nc(C)cc(C#N)n2)cn1
InChIInChI=1S/C13H13N5O/c1-3-19-12-5-4-10(8-15-12)17-13-16-9(2)6-11(7-14)18-13/h4-6,8H,3H2,1-2H3,(H,16,17,18)
InChIKeyPABGXLOVKYWHAE-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383536
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544919
N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine
CID 116649023
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
4-[[(6-ethoxy-3-pyridinyl)amino]methyl]-3-methylbenzonitrile
CID 114480567
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
N-(3-chloro-4-fluorophenyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112636601
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930861
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544878) is 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile is CCOc1ccc(Nc2nc(C)cc(C#N)n2)cn1.
What is the InChIKey of 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PABGXLOVKYWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-19-12-5-4-10(8-15-12)17-13-16-9(2)6-11(7-14)18-13/h4-6,8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).