N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine

C15H21N5 — CID 123924900

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine
SMILESCN1CCN(c2ccc(NC3=NCCC=N3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-19-9-11-20(12-10-19)14-5-3-13(4-6-14)18-15-16-7-2-8-17-15/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyCCINDCLCQZUXGG-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.68
Rot. Bonds2

About N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine (PubChem CID 123924900) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine
PubChem CID123924900
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine
SMILESCN1CCN(c2ccc(NC3=NCCC=N3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-19-9-11-20(12-10-19)14-5-3-13(4-6-14)18-15-16-7-2-8-17-15/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyCCINDCLCQZUXGG-UHFFFAOYSA-N
XLogP1.68
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
5-N-benzyl-5-N-methyl-3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112949333
4-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866957
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
3-N-(2,6-difluorophenyl)-5-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112969007
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960996
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945380
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
4-N-cycloheptyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112863913
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine (CID 123924900) is N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine is CN1CCN(c2ccc(NC3=NCCC=N3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine?
The InChIKey is CCINDCLCQZUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-9-11-20(12-10-19)14-5-3-13(4-6-14)18-15-16-7-2-8-17-15/h3-7H,2,8-12H2,1H3,(H,17,18).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 123924900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).