4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine

C16H24N6 — CID 97158763

IUPAC4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
SMILESCCC[C@H](C)[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20)/t12-,13-/m0/s1
InChIKeyRJAXDGJZRFKRKA-STQMWFEESA-N
MW300.41 g/mol
LogP2.65
Rot. Bonds5

About 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine

4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine (PubChem CID 97158763) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
PubChem CID97158763
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
SMILESCCC[C@H](C)[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20)/t12-,13-/m0/s1
InChIKeyRJAXDGJZRFKRKA-STQMWFEESA-N
XLogP2.65
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377070
4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377107
4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95599907
4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 166266865
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 84594224
4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133454093
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128975572
2-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80855816
4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine
CID 166354821
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486848

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine (CID 97158763) is 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine is CCC[C@H](C)[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1.
What is the InChIKey of 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The InChIKey is RJAXDGJZRFKRKA-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20)/t12-,13-/m0/s1.
What are the key properties of 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine is sourced from PubChem (CID 97158763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).