N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine

C19H27N5 — CID 67996999

IUPACN-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
SMILESCNCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1
InChIInChI=1S/C19H27N5/c1-15(2)23-8-10-24(11-9-23)19-21-13-18(14-22-19)17-6-4-16(5-7-17)12-20-3/h4-7,13-15,20H,8-12H2,1-3H3
InChIKeyHUHORSUWDNUBPZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.39
Rot. Bonds5

About N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine

N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine (PubChem CID 67996999) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
PubChem CID67996999
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
SMILESCNCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1
InChIInChI=1S/C19H27N5/c1-15(2)23-8-10-24(11-9-23)19-21-13-18(14-22-19)17-6-4-16(5-7-17)12-20-3/h4-7,13-15,20H,8-12H2,1-3H3
InChIKeyHUHORSUWDNUBPZ-UHFFFAOYSA-N
XLogP2.39
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine (CID 67996999) is N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine is CNCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine?
The InChIKey is HUHORSUWDNUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15(2)23-8-10-24(11-9-23)19-21-13-18(14-22-19)17-6-4-16(5-7-17)12-20-3/h4-7,13-15,20H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine?
N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine has a molecular weight of 325.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine is sourced from PubChem (CID 67996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).