2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine

C12H18N4 — CID 156802230

IUPAC2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine
SMILESC=CC[C@H]1CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C12H18N4/c1-2-4-10-5-3-8-16(9-10)12-14-7-6-11(13)15-12/h2,6-7,10H,1,3-5,8-9H2,(H2,13,14,15)/t10-/m0/s1
InChIKeyMVKCDNASXAUKON-JTQLQIEISA-N
MW218.30 g/mol
LogP1.85
Rot. Bonds3

About 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine

2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 156802230) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID156802230
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine
SMILESC=CC[C@H]1CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C12H18N4/c1-2-4-10-5-3-8-16(9-10)12-14-7-6-11(13)15-12/h2,6-7,10H,1,3-5,8-9H2,(H2,13,14,15)/t10-/m0/s1
InChIKeyMVKCDNASXAUKON-JTQLQIEISA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
CID 131891940
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine (CID 156802230) is 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine is C=CC[C@H]1CCCN(c2nccc(N)n2)C1.
What is the InChIKey of 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is MVKCDNASXAUKON-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4/c1-2-4-10-5-3-8-16(9-10)12-14-7-6-11(13)15-12/h2,6-7,10H,1,3-5,8-9H2,(H2,13,14,15)/t10-/m0/s1.
What are the key properties of 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine?
2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 156802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).