N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine

C9H18N4 — CID 115016276

IUPACN-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CN=C(NC2CCNCC2)NC1
InChIInChI=1S/C9H18N4/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h8,10H,1-7H2,(H2,11,12,13)
InChIKeyVHFGVECECREALU-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.32
Rot. Bonds1

About N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine

N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 115016276) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID115016276
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CN=C(NC2CCNCC2)NC1
InChIInChI=1S/C9H18N4/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h8,10H,1-7H2,(H2,11,12,13)
InChIKeyVHFGVECECREALU-UHFFFAOYSA-N
XLogP-0.32
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 115016276) is N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine is C1CN=C(NC2CCNCC2)NC1.
What is the InChIKey of N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VHFGVECECREALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h8,10H,1-7H2,(H2,11,12,13).
What are the key properties of N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 182.27 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 115016276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).