N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

C16H27N5 — CID 80811396

IUPACN-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(N3CCCC3)C2)c1C(C)C
InChIInChI=1S/C16H27N5/c1-12(2)14-15(17-3)18-11-19-16(14)21-9-6-13(10-21)20-7-4-5-8-20/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyDOKSFQDKMUFOOT-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80811396) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80811396
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(N3CCCC3)C2)c1C(C)C
InChIInChI=1S/C16H27N5/c1-12(2)14-15(17-3)18-11-19-16(14)21-9-6-13(10-21)20-7-4-5-8-20/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyDOKSFQDKMUFOOT-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 80753870
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80833774
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
1-methyl-4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887875
5-bromo-4-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 114071741
N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
CID 80836268
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80811396) is N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is CNc1ncnc(N2CCC(N3CCCC3)C2)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is DOKSFQDKMUFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-12(2)14-15(17-3)18-11-19-16(14)21-9-6-13(10-21)20-7-4-5-8-20/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80811396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).