N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine

C16H26N4O — CID 106871636

IUPACN-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOC1CCCC(NC2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H26N4O/c1-21-15-5-2-4-14(12-15)19-13-6-10-20(11-7-13)16-17-8-3-9-18-16/h3,8-9,13-15,19H,2,4-7,10-12H2,1H3
InChIKeyPVODVXYPDVRISS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds4

About N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 106871636) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID106871636
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOC1CCCC(NC2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H26N4O/c1-21-15-5-2-4-14(12-15)19-13-6-10-20(11-7-13)16-17-8-3-9-18-16/h3,8-9,13-15,19H,2,4-7,10-12H2,1H3
InChIKeyPVODVXYPDVRISS-UHFFFAOYSA-N
XLogP1.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 106871636) is N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine is COC1CCCC(NC2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is PVODVXYPDVRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-21-15-5-2-4-14(12-15)19-13-6-10-20(11-7-13)16-17-8-3-9-18-16/h3,8-9,13-15,19H,2,4-7,10-12H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 106871636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).