4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine

C13H20ClN3 — CID 80971294

IUPAC4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCC(C)C1
InChIInChI=1S/C13H20ClN3/c1-8(2)12-15-11(14)10(4)13(16-12)17-6-5-9(3)7-17/h8-9H,5-7H2,1-4H3
InChIKeyZCFFZXAUWBSGMI-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine

4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine (PubChem CID 80971294) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
PubChem CID80971294
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCC(C)C1
InChIInChI=1S/C13H20ClN3/c1-8(2)12-15-11(14)10(4)13(16-12)17-6-5-9(3)7-17/h8-9H,5-7H2,1-4H3
InChIKeyZCFFZXAUWBSGMI-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine (CID 80971294) is 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1N1CCC(C)C1.
What is the InChIKey of 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine?
The InChIKey is ZCFFZXAUWBSGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8(2)12-15-11(14)10(4)13(16-12)17-6-5-9(3)7-17/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80971294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).