N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine

C15H24N4 — CID 43728825

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCC(NC1CCCN(c2ncccn2)C1)C1(C)CC1
InChIInChI=1S/C15H24N4/c1-12(15(2)6-7-15)18-13-5-3-10-19(11-13)14-16-8-4-9-17-14/h4,8-9,12-13,18H,3,5-7,10-11H2,1-2H3
InChIKeyHGUUTGBLXDYCSJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 43728825) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID43728825
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCC(NC1CCCN(c2ncccn2)C1)C1(C)CC1
InChIInChI=1S/C15H24N4/c1-12(15(2)6-7-15)18-13-5-3-10-19(11-13)14-16-8-4-9-17-14/h4,8-9,12-13,18H,3,5-7,10-11H2,1-2H3
InChIKeyHGUUTGBLXDYCSJ-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 43728825) is N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine is CC(NC1CCCN(c2ncccn2)C1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is HGUUTGBLXDYCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(15(2)6-7-15)18-13-5-3-10-19(11-13)14-16-8-4-9-17-14/h4,8-9,12-13,18H,3,5-7,10-11H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 43728825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).