[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine

C14H19N5 — CID 116976207

IUPAC[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ncc(-c3cc[nH]c3)cn2)C1
InChIInChI=1S/C14H19N5/c15-6-11-2-1-5-19(10-11)14-17-8-13(9-18-14)12-3-4-16-7-12/h3-4,7-9,11,16H,1-2,5-6,10,15H2
InChIKeyVUPYIXTZDDDWEV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.65
Rot. Bonds3

About [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine

[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine (PubChem CID 116976207) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
PubChem CID116976207
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ncc(-c3cc[nH]c3)cn2)C1
InChIInChI=1S/C14H19N5/c15-6-11-2-1-5-19(10-11)14-17-8-13(9-18-14)12-3-4-16-7-12/h3-4,7-9,11,16H,1-2,5-6,10,15H2
InChIKeyVUPYIXTZDDDWEV-UHFFFAOYSA-N
XLogP1.65
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine (CID 116976207) is [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine is NCC1CCCN(c2ncc(-c3cc[nH]c3)cn2)C1.
What is the InChIKey of [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The InChIKey is VUPYIXTZDDDWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-6-11-2-1-5-19(10-11)14-17-8-13(9-18-14)12-3-4-16-7-12/h3-4,7-9,11,16H,1-2,5-6,10,15H2.
What are the key properties of [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 116976207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).