N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine

C16H27N5 — CID 80808792

IUPACN,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-11-15(19-16(17-2)18-13)21-9-5-14(6-10-21)12-20-7-3-4-8-20/h11,14H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyCHZLMZYNOXDEIN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.14
Rot. Bonds4

About N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine

N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 80808792) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID80808792
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-11-15(19-16(17-2)18-13)21-9-5-14(6-10-21)12-20-7-3-4-8-20/h11,14H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyCHZLMZYNOXDEIN-UHFFFAOYSA-N
XLogP2.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80838759
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
[4-(4-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 80895681
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825182
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80822558
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80835991
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine (CID 80808792) is N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine is CNc1nc(C)cc(N2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is CHZLMZYNOXDEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-11-15(19-16(17-2)18-13)21-9-5-14(6-10-21)12-20-7-3-4-8-20/h11,14H,3-10,12H2,1-2H3,(H,17,18,19).
What are the key properties of N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine?
N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80808792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).