1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

C12H19ClN4 — CID 81474455

IUPAC1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cnc(Cl)nc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H19ClN4/c1-8-5-14-12(13)15-11(8)17-6-9(2)10(7-17)16(3)4/h5,9-10H,6-7H2,1-4H3
InChIKeyXWEFOUXMSHGTES-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474455) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474455
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cnc(Cl)nc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H19ClN4/c1-8-5-14-12(13)15-11(8)17-6-9(2)10(7-17)16(3)4/h5,9-10H,6-7H2,1-4H3
InChIKeyXWEFOUXMSHGTES-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81474455) is 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is Cc1cnc(Cl)nc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is XWEFOUXMSHGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-5-14-12(13)15-11(8)17-6-9(2)10(7-17)16(3)4/h5,9-10H,6-7H2,1-4H3.
What are the key properties of 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).