[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

C15H24N4O — CID 97156516

IUPAC[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CC[C@]1(CO)CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C15H24N4O/c1-12(2)4-7-15(11-20)6-3-9-19(10-15)14-17-8-5-13(16)18-14/h4-5,8,20H,3,6-7,9-11H2,1-2H3,(H2,16,17,18)/t15-/m1/s1
InChIKeyRMNOUBUTIDCRDL-OAHLLOKOSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds4

About [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (PubChem CID 97156516) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
PubChem CID97156516
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CC[C@]1(CO)CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C15H24N4O/c1-12(2)4-7-15(11-20)6-3-9-19(10-15)14-17-8-5-13(16)18-14/h4-5,8,20H,3,6-7,9-11H2,1-2H3,(H2,16,17,18)/t15-/m1/s1
InChIKeyRMNOUBUTIDCRDL-OAHLLOKOSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
[(3R)-1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97150090
[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145143
[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 70711017
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97122464
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
(3R)-1-(4-aminopyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95550282
1-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72907139

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (CID 97156516) is [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is CC(C)=CC[C@]1(CO)CCCN(c2nccc(N)n2)C1.
What is the InChIKey of [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The InChIKey is RMNOUBUTIDCRDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)4-7-15(11-20)6-3-9-19(10-15)14-17-8-5-13(16)18-14/h4-5,8,20H,3,6-7,9-11H2,1-2H3,(H2,16,17,18)/t15-/m1/s1.
What are the key properties of [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97156516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).