3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine

C15H27N5O — CID 22723702

IUPAC3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine
SMILESCCC/N=c1\nc(N2CCCCC2)cc(NCCC)n1O
InChIInChI=1S/C15H27N5O/c1-3-8-16-13-12-14(19-10-6-5-7-11-19)18-15(20(13)21)17-9-4-2/h12,16,21H,3-11H2,1-2H3/b17-15+
InChIKeyOIVSSPQUDNHWQE-BMRADRMJSA-N
MW293.42 g/mol
LogP2.24
Rot. Bonds6

About 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine

3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine (PubChem CID 22723702) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine.

Molecular Properties

Compound Name3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine
PubChem CID22723702
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine
SMILESCCC/N=c1\nc(N2CCCCC2)cc(NCCC)n1O
InChIInChI=1S/C15H27N5O/c1-3-8-16-13-12-14(19-10-6-5-7-11-19)18-15(20(13)21)17-9-4-2/h12,16,21H,3-11H2,1-2H3/b17-15+
InChIKeyOIVSSPQUDNHWQE-BMRADRMJSA-N
XLogP2.24
TPSA65.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
ethyl N-[6-(ethoxycarbonylamino)-1-hydroxy-4-pyrrolidin-1-ylpyrimidin-2-ylidene]carbamate
CID 54096826
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate
CID 54233702
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
1-(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)-3-propylthiourea
CID 100774538
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
1-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]-3-propylthiourea
CID 100774627

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine?
The IUPAC name of 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine (CID 22723702) is 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine.
What is the SMILES notation for 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine?
The canonical SMILES for 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine is CCC/N=c1\nc(N2CCCCC2)cc(NCCC)n1O.
What is the InChIKey of 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine?
The InChIKey is OIVSSPQUDNHWQE-BMRADRMJSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-8-16-13-12-14(19-10-6-5-7-11-19)18-15(20(13)21)17-9-4-2/h12,16,21H,3-11H2,1-2H3/b17-15+.
What are the key properties of 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine?
3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine has a molecular weight of 293.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine is sourced from PubChem (CID 22723702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).