N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4 — CID 34956966

IUPACN-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](C)Nc1c(C)c(C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H22N4/c1-5-12(2)20-17-13(3)14(4)21-18-16(11-19-22(17)18)15-9-7-6-8-10-15/h6-12,20H,5H2,1-4H3/t12-/m0/s1
InChIKeyNPDBVEZCPUWLAV-LBPRGKRZSA-N
MW294.40 g/mol
LogP4.22
Rot. Bonds4

About N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 34956966) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID34956966
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](C)Nc1c(C)c(C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H22N4/c1-5-12(2)20-17-13(3)14(4)21-18-16(11-19-22(17)18)15-9-7-6-8-10-15/h6-12,20H,5H2,1-4H3/t12-/m0/s1
InChIKeyNPDBVEZCPUWLAV-LBPRGKRZSA-N
XLogP4.22
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
CID 4870814
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 617088
5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 8741392
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 105481983
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine
CID 4904530
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 34956966) is N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CC[C@H](C)Nc1c(C)c(C)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NPDBVEZCPUWLAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4/c1-5-12(2)20-17-13(3)14(4)21-18-16(11-19-22(17)18)15-9-7-6-8-10-15/h6-12,20H,5H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 34956966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).