(1-pyrimidin-2-ylpiperidin-3-yl)methanamine

C10H16N4 — CID 44721316

IUPAC(1-pyrimidin-2-ylpiperidin-3-yl)methanamine
SMILESNCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H16N4/c11-7-9-3-1-6-14(8-9)10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8,11H2
InChIKeyDVRGIRPTOHSFCO-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.65
Rot. Bonds2

About (1-pyrimidin-2-ylpiperidin-3-yl)methanamine

(1-pyrimidin-2-ylpiperidin-3-yl)methanamine (PubChem CID 44721316) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (1-pyrimidin-2-ylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-pyrimidin-2-ylpiperidin-3-yl)methanamine
PubChem CID44721316
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(1-pyrimidin-2-ylpiperidin-3-yl)methanamine
SMILESNCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H16N4/c11-7-9-3-1-6-14(8-9)10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8,11H2
InChIKeyDVRGIRPTOHSFCO-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-2-ylpiperidin-3-yl)methanamine?
The IUPAC name of (1-pyrimidin-2-ylpiperidin-3-yl)methanamine (CID 44721316) is (1-pyrimidin-2-ylpiperidin-3-yl)methanamine.
What is the SMILES notation for (1-pyrimidin-2-ylpiperidin-3-yl)methanamine?
The canonical SMILES for (1-pyrimidin-2-ylpiperidin-3-yl)methanamine is NCC1CCCN(c2ncccn2)C1.
What is the InChIKey of (1-pyrimidin-2-ylpiperidin-3-yl)methanamine?
The InChIKey is DVRGIRPTOHSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-7-9-3-1-6-14(8-9)10-12-4-2-5-13-10/h2,4-5,9H,1,3,6-8,11H2.
What are the key properties of (1-pyrimidin-2-ylpiperidin-3-yl)methanamine?
(1-pyrimidin-2-ylpiperidin-3-yl)methanamine has a molecular weight of 192.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-2-ylpiperidin-3-yl)methanamine is sourced from PubChem (CID 44721316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).