N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine

C19H27N5 — CID 112887960

IUPACN-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-16(2)24(15-17-7-5-4-6-8-17)19-20-10-9-18(21-19)23-13-11-22(3)12-14-23/h4-10,16H,11-15H2,1-3H3
InChIKeyCVDVAOXURMVZSG-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.64
Rot. Bonds5

About N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine

N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 112887960) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID112887960
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-16(2)24(15-17-7-5-4-6-8-17)19-20-10-9-18(21-19)23-13-11-22(3)12-14-23/h4-10,16H,11-15H2,1-3H3
InChIKeyCVDVAOXURMVZSG-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112914008
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900078
[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109311670
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine (CID 112887960) is N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)N(Cc1ccccc1)c1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is CVDVAOXURMVZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-16(2)24(15-17-7-5-4-6-8-17)19-20-10-9-18(21-19)23-13-11-22(3)12-14-23/h4-10,16H,11-15H2,1-3H3.
What are the key properties of N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 112887960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).