[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine

C16H20N4 — CID 103279108

IUPAC[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N4/c17-10-15-8-4-5-9-20(15)16-18-11-14(12-19-16)13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10,17H2
InChIKeySIZYDMBPJYRLCU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.46
Rot. Bonds3

About [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine

[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine (PubChem CID 103279108) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
PubChem CID103279108
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N4/c17-10-15-8-4-5-9-20(15)16-18-11-14(12-19-16)13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10,17H2
InChIKeySIZYDMBPJYRLCU-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 58067642
[1-(1,2,4-triazin-3-yl)piperidin-2-yl]methanamine
CID 83830456
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279176
2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 116648606
[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 116976636

Frequently Asked Questions

What is the IUPAC name of [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine (CID 103279108) is [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine is NCC1CCCCN1c1ncc(-c2ccccc2)cn1.
What is the InChIKey of [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is SIZYDMBPJYRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-10-15-8-4-5-9-20(15)16-18-11-14(12-19-16)13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10,17H2.
What are the key properties of [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine?
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103279108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).