4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine

C18H24N4 — CID 95825332

IUPAC4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine
SMILESCC(C)N1CCC[C@H]1CCc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C18H24N4/c1-14(2)22-10-4-6-17(22)8-7-16-11-18(21-13-20-16)15-5-3-9-19-12-15/h3,5,9,11-14,17H,4,6-8,10H2,1-2H3/t17-/m0/s1
InChIKeySYSYMNKTHFGBKE-KRWDZBQOSA-N
MW296.42 g/mol
LogP3.34
Rot. Bonds5

About 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine

4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine (PubChem CID 95825332) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine
PubChem CID95825332
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine
SMILESCC(C)N1CCC[C@H]1CCc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C18H24N4/c1-14(2)22-10-4-6-17(22)8-7-16-11-18(21-13-20-16)15-5-3-9-19-12-15/h3,5,9,11-14,17H,4,6-8,10H2,1-2H3/t17-/m0/s1
InChIKeySYSYMNKTHFGBKE-KRWDZBQOSA-N
XLogP3.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-pyridin-3-ylpyrimidin-4-yl)propan-2-amine
CID 83849087
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 83847968
2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine
CID 66509910
3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
CID 39817998
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
CID 95825017
2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine
CID 116973081
3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
CID 129461551
4-iodo-6-pyridin-3-ylpyrimidine
CID 51355283
2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925824
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine (CID 95825332) is 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine is CC(C)N1CCC[C@H]1CCc1cc(-c2cccnc2)ncn1.
What is the InChIKey of 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine?
The InChIKey is SYSYMNKTHFGBKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(2)22-10-4-6-17(22)8-7-16-11-18(21-13-20-16)15-5-3-9-19-12-15/h3,5,9,11-14,17H,4,6-8,10H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine?
4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine has a molecular weight of 296.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 95825332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).