5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine

C13H22ClN5O — CID 80777687

IUPAC5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCN2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyJATNHKBVPXNNMM-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.70
Rot. Bonds7

About 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80777687) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80777687
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCN2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyJATNHKBVPXNNMM-UHFFFAOYSA-N
XLogP1.70
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80776953
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
5-chloro-2-N-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327636
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327571
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
CID 83027231
5-chloro-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816474
5-chloro-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797683
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80777687) is 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCCN2CCOCC2)n1.
What is the InChIKey of 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JATNHKBVPXNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 299.81 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80777687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).