N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine

C21H30FN7O — CID 134603222

IUPACN-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Nc2cc(C3CCC3)[nH]n2)c(F)c(N2CCN(C3COC3)CC2)n1
InChIInChI=1S/C21H30FN7O/c1-13(2)19-24-20(23-17-10-16(26-27-17)14-4-3-5-14)18(22)21(25-19)29-8-6-28(7-9-29)15-11-30-12-15/h10,13-15H,3-9,11-12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyBUOZVHRREIPHPQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.99
Rot. Bonds6

About N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine

N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 134603222) has the molecular formula C21H30FN7O and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID134603222
Molecular FormulaC21H30FN7O
Molecular Weight415.52 g/mol
Exact Mass415.25
IUPAC NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Nc2cc(C3CCC3)[nH]n2)c(F)c(N2CCN(C3COC3)CC2)n1
InChIInChI=1S/C21H30FN7O/c1-13(2)19-24-20(23-17-10-16(26-27-17)14-4-3-5-14)18(22)21(25-19)29-8-6-28(7-9-29)15-11-30-12-15/h10,13-15H,3-9,11-12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyBUOZVHRREIPHPQ-UHFFFAOYSA-N
XLogP2.99
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-5-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-amine
CID 134603240
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 66927380
1-[3-[3-[(2-aminopyrimidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl]-1-cyclohexyl-3-[1-(oxetan-3-yl)piperidin-4-yl]urea
CID 154687401
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carbaldehyde
CID 86620610
1-[5-fluoro-6-[1-(5-fluoropyrimidin-2-yl)ethoxy]-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carbonitrile
CID 25104722
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
CID 10154812
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 143752088
6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 59758040

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine (CID 134603222) is N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Nc2cc(C3CCC3)[nH]n2)c(F)c(N2CCN(C3COC3)CC2)n1.
What is the InChIKey of N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BUOZVHRREIPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN7O/c1-13(2)19-24-20(23-17-10-16(26-27-17)14-4-3-5-14)18(22)21(25-19)29-8-6-28(7-9-29)15-11-30-12-15/h10,13-15H,3-9,11-12H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 415.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-pyrazol-3-yl)-5-fluoro-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 134603222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).