5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine

C15H25ClN4O — CID 102746619

IUPAC5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H25ClN4O/c1-6-7-17-13-18-8-11(16)12(19-13)20-9-14(2,3)21-15(4,5)10-20/h8H,6-7,9-10H2,1-5H3,(H,17,18,19)
InChIKeyINNYTVTVTJPTAJ-UHFFFAOYSA-N
MW312.85 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine

5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 102746619) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID102746619
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H25ClN4O/c1-6-7-17-13-18-8-11(16)12(19-13)20-9-14(2,3)21-15(4,5)10-20/h8H,6-7,9-10H2,1-5H3,(H,17,18,19)
InChIKeyINNYTVTVTJPTAJ-UHFFFAOYSA-N
XLogP3.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746687
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81217444
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-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine (CID 102746619) is 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CC(C)(C)OC(C)(C)C2)n1.
What is the InChIKey of 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is INNYTVTVTJPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-6-7-17-13-18-8-11(16)12(19-13)20-9-14(2,3)21-15(4,5)10-20/h8H,6-7,9-10H2,1-5H3,(H,17,18,19).
What are the key properties of 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine?
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 312.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 102746619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).