N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

C20H29N5 — CID 112914008

IUPACN-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2)C(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)25(15-18-8-6-5-7-9-18)19-14-17(3)21-20(22-19)24-12-10-23(4)11-13-24/h5-9,14,16H,10-13,15H2,1-4H3
InChIKeyFSFBNKXBLVIGAC-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112914008) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID112914008
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2)C(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)25(15-18-8-6-5-7-9-18)19-14-17(3)21-20(22-19)24-12-10-23(4)11-13-24/h5-9,14,16H,10-13,15H2,1-4H3
InChIKeyFSFBNKXBLVIGAC-UHFFFAOYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidin-4-amine
CID 112912293
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 112887960
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925035
N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
CID 113379293
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 166258999

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (CID 112914008) is N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is Cc1cc(N(Cc2ccccc2)C(C)C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is FSFBNKXBLVIGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16(2)25(15-18-8-6-5-7-9-18)19-14-17(3)21-20(22-19)24-12-10-23(4)11-13-24/h5-9,14,16H,10-13,15H2,1-4H3.
What are the key properties of N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112914008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).