4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine

C13H16N6 — CID 115266465

IUPAC4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccncc2)cc(NC2CNC2)n1
InChIInChI=1S/C13H16N6/c1-9-16-12(18-10-2-4-14-5-3-10)6-13(17-9)19-11-7-15-8-11/h2-6,11,15H,7-8H2,1H3,(H2,14,16,17,18,19)
InChIKeyYHUFERJBYPZIAV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.31
Rot. Bonds4

About 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine

4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115266465) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115266465
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccncc2)cc(NC2CNC2)n1
InChIInChI=1S/C13H16N6/c1-9-16-12(18-10-2-4-14-5-3-10)6-13(17-9)19-11-7-15-8-11/h2-6,11,15H,7-8H2,1H3,(H2,14,16,17,18,19)
InChIKeyYHUFERJBYPZIAV-UHFFFAOYSA-N
XLogP1.31
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115264106
N-(azetidin-3-yl)pyridin-4-amine;ethane
CID 144986500
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266355
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724

Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115266465) is 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine is Cc1nc(Nc2ccncc2)cc(NC2CNC2)n1.
What is the InChIKey of 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is YHUFERJBYPZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9-16-12(18-10-2-4-14-5-3-10)6-13(17-9)19-11-7-15-8-11/h2-6,11,15H,7-8H2,1H3,(H2,14,16,17,18,19).
What are the key properties of 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).