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

C16H27N5 — CID 80810445

IUPAC5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(N3CCCC3)C2)c1C
InChIInChI=1S/C16H27N5/c1-3-7-17-15-13(2)16(19-12-18-15)21-10-6-14(11-21)20-8-4-5-9-20/h12,14H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyQKGYXNSXENZSEN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.28
Rot. Bonds5

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

5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80810445) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80810445
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(N3CCCC3)C2)c1C
InChIInChI=1S/C16H27N5/c1-3-7-17-15-13(2)16(19-12-18-15)21-10-6-14(11-21)20-8-4-5-9-20/h12,14H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyQKGYXNSXENZSEN-UHFFFAOYSA-N
XLogP2.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
N-methyl-5-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80811396
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80810445) is 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is CCCNc1ncnc(N2CCC(N3CCCC3)C2)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is QKGYXNSXENZSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-7-17-15-13(2)16(19-12-18-15)21-10-6-14(11-21)20-8-4-5-9-20/h12,14H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).