2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine

C17H23N5 — CID 91492484

IUPAC2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)c(C3CNC3)cc2C)ncc1C
InChIInChI=1S/C17H23N5/c1-10-6-15(11(2)5-14(10)13-8-19-9-13)21-17-20-7-12(3)16(18-4)22-17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20,21,22)
InChIKeySNVGDJNDPKLCFT-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.87
Rot. Bonds4

About 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine

2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 91492484) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID91492484
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)c(C3CNC3)cc2C)ncc1C
InChIInChI=1S/C17H23N5/c1-10-6-15(11(2)5-14(10)13-8-19-9-13)21-17-20-7-12(3)16(18-4)22-17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20,21,22)
InChIKeySNVGDJNDPKLCFT-UHFFFAOYSA-N
XLogP2.87
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 143921492
(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 44611358
4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclohexan-1-one
CID 44621123
(Z)-3-amino-N'-[5-chloro-2-(2,5-dimethyl-4-piperidin-3-ylanilino)pyrimidin-4-yl]but-2-enimidamide
CID 143921546
5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 176671649
ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidine-1-carboxylate
CID 44612615
5-chloro-2-N-[2,5-dimethyl-4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 90867539
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255001
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255081
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255060
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
CID 143605466

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine (CID 91492484) is 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine is CNc1nc(Nc2cc(C)c(C3CNC3)cc2C)ncc1C.
What is the InChIKey of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is SNVGDJNDPKLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-10-6-15(11(2)5-14(10)13-8-19-9-13)21-17-20-7-12(3)16(18-4)22-17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20,21,22).
What are the key properties of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 91492484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).