N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine

C20H23FN6 — CID 92612455

IUPACN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCc1nc(NC[C@H](c2ccc(F)cc2)N2CCCC2)cc(-c2ccn[nH]2)n1
InChIInChI=1S/C20H23FN6/c1-14-24-18(17-8-9-23-26-17)12-20(25-14)22-13-19(27-10-2-3-11-27)15-4-6-16(21)7-5-15/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,23,26)(H,22,24,25)/t19-/m1/s1
InChIKeyANNMCAKAPSIPEK-LJQANCHMSA-N
MW366.44 g/mol
LogP3.56
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine

N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine (PubChem CID 92612455) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
PubChem CID92612455
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCc1nc(NC[C@H](c2ccc(F)cc2)N2CCCC2)cc(-c2ccn[nH]2)n1
InChIInChI=1S/C20H23FN6/c1-14-24-18(17-8-9-23-26-17)12-20(25-14)22-13-19(27-10-2-3-11-27)15-4-6-16(21)7-5-15/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,23,26)(H,22,24,25)/t19-/m1/s1
InChIKeyANNMCAKAPSIPEK-LJQANCHMSA-N
XLogP3.56
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
CID 92627903
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
5-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 167972006
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 45190731
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine (CID 92612455) is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine is Cc1nc(NC[C@H](c2ccc(F)cc2)N2CCCC2)cc(-c2ccn[nH]2)n1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The InChIKey is ANNMCAKAPSIPEK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN6/c1-14-24-18(17-8-9-23-26-17)12-20(25-14)22-13-19(27-10-2-3-11-27)15-4-6-16(21)7-5-15/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,23,26)(H,22,24,25)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine?
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 92612455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).