3-piperidin-4-yl-4H-pyrimidin-2-amine

C9H16N4 — CID 56977113

IUPAC3-piperidin-4-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1C1CCNCC1
InChIInChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12)
InChIKeyWHHMJTYWTVLIHJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.12
Rot. Bonds1

About 3-piperidin-4-yl-4H-pyrimidin-2-amine

3-piperidin-4-yl-4H-pyrimidin-2-amine (PubChem CID 56977113) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-piperidin-4-yl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name3-piperidin-4-yl-4H-pyrimidin-2-amine
PubChem CID56977113
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-piperidin-4-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1C1CCNCC1
InChIInChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12)
InChIKeyWHHMJTYWTVLIHJ-UHFFFAOYSA-N
XLogP-0.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The IUPAC name of 3-piperidin-4-yl-4H-pyrimidin-2-amine (CID 56977113) is 3-piperidin-4-yl-4H-pyrimidin-2-amine.
What is the SMILES notation for 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The canonical SMILES for 3-piperidin-4-yl-4H-pyrimidin-2-amine is NC1=NC=CCN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The InChIKey is WHHMJTYWTVLIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12).
What are the key properties of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
3-piperidin-4-yl-4H-pyrimidin-2-amine has a molecular weight of 180.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4H-pyrimidin-2-amine is sourced from PubChem (CID 56977113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).