N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

C21H25N7 — CID 70695927

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26)
InChIKeyDPQONKTXXSIFKR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.24
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 70695927) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID70695927
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26)
InChIKeyDPQONKTXXSIFKR-UHFFFAOYSA-N
XLogP3.24
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Enmd-2076
CID 16041424
AZ-960
CID 25099184
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-2-(phenylsulfanyl)pyrimidin-4-amine
CID 138376543
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949400
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (CID 70695927) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is DPQONKTXXSIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 70695927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).