4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C21H31N5 — CID 175280282

IUPAC4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCCCc1cc(N2CCCC(N)C2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H31N5/c1-4-5-8-18-13-20(26-9-6-7-17(22)14-26)25-21(23-18)24-19-11-15(2)10-16(3)12-19/h10-13,17H,4-9,14,22H2,1-3H3,(H,23,24,25)
InChIKeyVGLYBZSKGGTAHO-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.11
Rot. Bonds6

About 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 175280282) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID175280282
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCCCc1cc(N2CCCC(N)C2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H31N5/c1-4-5-8-18-13-20(26-9-6-7-17(22)14-26)25-21(23-18)24-19-11-15(2)10-16(3)12-19/h10-13,17H,4-9,14,22H2,1-3H3,(H,23,24,25)
InChIKeyVGLYBZSKGGTAHO-UHFFFAOYSA-N
XLogP4.11
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[4-(3-aminopiperidin-1-yl)-6-butylpyrimidin-2-yl]-5-(trifluoromethyl)benzene-1,3-diamine
CID 72673626
3-amino-5-[[4-(3-aminopiperidin-1-yl)-6-butylpyrimidin-2-yl]amino]benzonitrile;dihydrochloride
CID 121292856
4-(3-aminopiperidin-1-yl)-6-butyl-N-(3-fluoro-4-methylphenyl)pyrimidin-2-amine;dihydrochloride
CID 121292857
3-amino-5-[[4-(3-aminopiperidin-1-yl)-6-propylpyrimidin-2-yl]amino]benzonitrile;dihydrochloride
CID 121292772
4-N-[4-butyl-6-[3-(methylamino)piperidin-1-yl]pyrimidin-2-yl]benzene-1,2,4-triamine
CID 140625415
1-N-[4-butyl-6-[3-(methylamino)piperidin-1-yl]pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 140625407
1-N-[4-butyl-6-[(3R)-3-(methylamino)piperidin-1-yl]pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 121292661
3-N-[4-[(3S)-3-aminopyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-5-(trifluoromethyl)benzene-1,3-diamine
CID 118389784
4-N-[4-butyl-6-[(3R)-3-(methylamino)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)benzene-1,4-diamine;dihydrochloride
CID 121292879
3-N-[4-butyl-6-[3-(ethylamino)pyrrolidin-1-yl]pyrimidin-2-yl]-5-(trifluoromethyl)benzene-1,3-diamine
CID 140626276
4-N-[4-[(3S)-3-aminopyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 121332303
1-N-[4-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]-4-chlorobenzene-1,3-diamine;dihydrochloride
CID 121332110

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 175280282) is 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine is CCCCc1cc(N2CCCC(N)C2)nc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is VGLYBZSKGGTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-4-5-8-18-13-20(26-9-6-7-17(22)14-26)25-21(23-18)24-19-11-15(2)10-16(3)12-19/h10-13,17H,4-9,14,22H2,1-3H3,(H,23,24,25).
What are the key properties of 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 353.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-6-butyl-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 175280282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).