N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine

C20H22N4 — CID 45487689

IUPACN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESc1cnc(N(Cc2ccc3ccccc3c2)C2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-2-5-18-14-16(6-7-17(18)4-1)15-24(19-8-12-21-13-9-19)20-22-10-3-11-23-20/h1-7,10-11,14,19,21H,8-9,12-13,15H2
InChIKeyGSCMKUDZZALNHS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine

N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 45487689) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID45487689
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESc1cnc(N(Cc2ccc3ccccc3c2)C2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-2-5-18-14-16(6-7-17(18)4-1)15-24(19-8-12-21-13-9-19)20-22-10-3-11-23-20/h1-7,10-11,14,19,21H,8-9,12-13,15H2
InChIKeyGSCMKUDZZALNHS-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine (CID 45487689) is N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine is c1cnc(N(Cc2ccc3ccccc3c2)C2CCNCC2)nc1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is GSCMKUDZZALNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-5-18-14-16(6-7-17(18)4-1)15-24(19-8-12-21-13-9-19)20-22-10-3-11-23-20/h1-7,10-11,14,19,21H,8-9,12-13,15H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine?
N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 318.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 45487689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).