1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C13H21ClN4 — CID 63729539

IUPAC1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCCc1c(Cl)ncnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H21ClN4/c1-4-5-11-12(14)15-9-16-13(11)18-7-6-10(8-18)17(2)3/h9-10H,4-8H2,1-3H3
InChIKeyYUPBXRXGOZNNBY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.22
Rot. Bonds4

About 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63729539) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63729539
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCCc1c(Cl)ncnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H21ClN4/c1-4-5-11-12(14)15-9-16-13(11)18-7-6-10(8-18)17(2)3/h9-10H,4-8H2,1-3H3
InChIKeyYUPBXRXGOZNNBY-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 63729539) is 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is CCCc1c(Cl)ncnc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is YUPBXRXGOZNNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-4-5-11-12(14)15-9-16-13(11)18-7-6-10(8-18)17(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63729539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).