N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine

C18H21N7 — CID 141081126

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4)n3)cc2)CC1
InChIInChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)16-4-2-15(3-5-16)22-18-19-7-6-17(23-18)14-12-20-21-13-14/h2-7,12-13H,8-11H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyOYCWMAWOWCTDRU-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 141081126) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID141081126
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4)n3)cc2)CC1
InChIInChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)16-4-2-15(3-5-16)22-18-19-7-6-17(23-18)14-12-20-21-13-14/h2-7,12-13H,8-11H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyOYCWMAWOWCTDRU-UHFFFAOYSA-N
XLogP2.36
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081134
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
N-[4-(3-tert-butyl-1,2,4-triazol-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 117078792
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1H-pyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934521
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
1-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494283
3-(4-methoxyphenyl)-2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164606257

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 141081126) is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine is CN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is OYCWMAWOWCTDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)16-4-2-15(3-5-16)22-18-19-7-6-17(23-18)14-12-20-21-13-14/h2-7,12-13H,8-11H2,1H3,(H,20,21)(H,19,22,23).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 335.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141081126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).