2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine

C19H22N6 — CID 97226138

IUPAC2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(N3CCC[C@H]3Cc3ccccc3)ncn2)n1
InChIInChI=1S/C19H22N6/c1-14-10-17(20)25(23-14)19-12-18(21-13-22-19)24-9-5-8-16(24)11-15-6-3-2-4-7-15/h2-4,6-7,10,12-13,16H,5,8-9,11,20H2,1H3/t16-/m0/s1
InChIKeyXFDNUURRELJHSW-INIZCTEOSA-N
MW334.43 g/mol
LogP2.76
Rot. Bonds4

About 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine

2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine (PubChem CID 97226138) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine
PubChem CID97226138
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(N3CCC[C@H]3Cc3ccccc3)ncn2)n1
InChIInChI=1S/C19H22N6/c1-14-10-17(20)25(23-14)19-12-18(21-13-22-19)24-9-5-8-16(24)11-15-6-3-2-4-7-15/h2-4,6-7,10,12-13,16H,5,8-9,11,20H2,1H3/t16-/m0/s1
InChIKeyXFDNUURRELJHSW-INIZCTEOSA-N
XLogP2.76
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
4-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 129348905
4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 126792369
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
4-imidazol-1-yl-6-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75373069
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133406867
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
(2R)-2-[(4-fluorophenyl)methyl]-1-phenylpyrrolidine
CID 134966567
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine (CID 97226138) is 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2cc(N3CCC[C@H]3Cc3ccccc3)ncn2)n1.
What is the InChIKey of 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The InChIKey is XFDNUURRELJHSW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-10-17(20)25(23-14)19-12-18(21-13-22-19)24-9-5-8-16(24)11-15-6-3-2-4-7-15/h2-4,6-7,10,12-13,16H,5,8-9,11,20H2,1H3/t16-/m0/s1.
What are the key properties of 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine has a molecular weight of 334.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 97226138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).