5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

C12H19ClN4 — CID 80797839

IUPAC5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCC(C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-3-5-14-12-15-7-10(13)11(16-12)17-6-4-9(2)8-17/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPTADNBQMEVQHOF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80797839) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80797839
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCC(C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-3-5-14-12-15-7-10(13)11(16-12)17-6-4-9(2)8-17/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPTADNBQMEVQHOF-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81217444
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (CID 80797839) is 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CCC(C)C2)n1.
What is the InChIKey of 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is PTADNBQMEVQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-5-14-12-15-7-10(13)11(16-12)17-6-4-9(2)8-17/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).