N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C19H26N6 — CID 112884090

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc(N4CCCC4)n3)cc2)CC1
InChIInChI=1S/C19H26N6/c1-23-12-14-24(15-13-23)17-6-4-16(5-7-17)21-18-8-9-20-19(22-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,20,21,22)
InChIKeyQEVJPHQDMYRQJM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112884090) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112884090
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc(N4CCCC4)n3)cc2)CC1
InChIInChI=1S/C19H26N6/c1-23-12-14-24(15-13-23)17-6-4-16(5-7-17)21-18-8-9-20-19(22-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,20,21,22)
InChIKeyQEVJPHQDMYRQJM-UHFFFAOYSA-N
XLogP2.57
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112900963
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888177
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-N-(2-methylphenyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901856
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112884090) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is CN1CCN(c2ccc(Nc3ccnc(N4CCCC4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is QEVJPHQDMYRQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-23-12-14-24(15-13-23)17-6-4-16(5-7-17)21-18-8-9-20-19(22-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).