2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine

C16H22N6 — CID 172900660

IUPAC2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C16H22N6/c1-21(2)16-18-10-8-14(20-16)19-13-6-5-11-22(12-13)15-7-3-4-9-17-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyXYDHRARRLUSQBM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.02
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 172900660) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID172900660
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C16H22N6/c1-21(2)16-18-10-8-14(20-16)19-13-6-5-11-22(12-13)15-7-3-4-9-17-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyXYDHRARRLUSQBM-UHFFFAOYSA-N
XLogP2.02
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[2-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]benzonitrile
CID 175649533
2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172899532
2-[3-[[2-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-5-fluorobenzonitrile
CID 172901375
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
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
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901908
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783
N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 172900660) is 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine is CN(C)c1nccc(NC2CCCN(c3ccccn3)C2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is XYDHRARRLUSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-21(2)16-18-10-8-14(20-16)19-13-6-5-11-22(12-13)15-7-3-4-9-17-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 298.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 172900660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).