2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine

C15H24N8 — CID 175649042

IUPAC2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCCN(CCn3nccn3)C2)n1
InChIInChI=1S/C15H24N8/c1-21(2)15-16-6-5-14(20-15)19-13-4-3-9-22(12-13)10-11-23-17-7-8-18-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,16,19,20)
InChIKeyVUMDMPRSSXSMBN-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.71
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 175649042) has the molecular formula C15H24N8 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID175649042
Molecular FormulaC15H24N8
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC Name2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCCN(CCn3nccn3)C2)n1
InChIInChI=1S/C15H24N8/c1-21(2)15-16-6-5-14(20-15)19-13-4-3-9-22(12-13)10-11-23-17-7-8-18-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,16,19,20)
InChIKeyVUMDMPRSSXSMBN-UHFFFAOYSA-N
XLogP0.71
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901908
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 172900660
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
CID 172900475
2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172899532
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901240
4-N-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901710
2-[3-[[2-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]benzonitrile
CID 175649533
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828902

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine (CID 175649042) is 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1nccc(NC2CCCN(CCn3nccn3)C2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is VUMDMPRSSXSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8/c1-21(2)15-16-6-5-14(20-15)19-13-4-3-9-22(12-13)10-11-23-17-7-8-18-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,16,19,20).
What are the key properties of 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 175649042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).