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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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).