2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C16H22N6 — CID 70784308

IUPAC2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C16H22N6/c17-14-3-6-19-16(20-14)21-8-4-13(5-9-21)15-18-7-10-22(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2,(H2,17,19,20)
InChIKeyDLKUXDZEEHLDQZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 70784308) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID70784308
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C16H22N6/c17-14-3-6-19-16(20-14)21-8-4-13(5-9-21)15-18-7-10-22(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2,(H2,17,19,20)
InChIKeyDLKUXDZEEHLDQZ-UHFFFAOYSA-N
XLogP2.05
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 70784308) is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is DLKUXDZEEHLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c17-14-3-6-19-16(20-14)21-8-4-13(5-9-21)15-18-7-10-22(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2,(H2,17,19,20).
What are the key properties of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70784308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).