6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine

C16H28N4 — CID 80855379

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(C)(C)C2)c1CCC
InChIInChI=1S/C16H28N4/c1-5-7-13-14(17-9-6-2)18-12-19-15(13)20-10-8-16(3,4)11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyXOBUNHOHKDOBBX-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds6

About 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine

6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 80855379) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
PubChem CID80855379
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(C)(C)C2)c1CCC
InChIInChI=1S/C16H28N4/c1-5-7-13-14(17-9-6-2)18-12-19-15(13)20-10-8-16(3,4)11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyXOBUNHOHKDOBBX-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322286
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736
1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358871
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80837574
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80855237

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine (CID 80855379) is 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(N2CCC(C)(C)C2)c1CCC.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is XOBUNHOHKDOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-7-13-14(17-9-6-2)18-12-19-15(13)20-10-8-16(3,4)11-20/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80855379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).