4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C13H23N5O2 — CID 19152522

IUPAC4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C13H23N5O2/c1-10(2)20-13-11(14)12(16-9-17-13)15-3-4-18-5-7-19-8-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyNHFSWRIZDSXESD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.59
Rot. Bonds6

About 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 19152522) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID19152522
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C13H23N5O2/c1-10(2)20-13-11(14)12(16-9-17-13)15-3-4-18-5-7-19-8-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyNHFSWRIZDSXESD-UHFFFAOYSA-N
XLogP0.59
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
4-N-(2-methoxy-5-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541986
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19153377
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106007220

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 19152522) is 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(NCCN2CCOCC2)c1N.
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is NHFSWRIZDSXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)20-13-11(14)12(16-9-17-13)15-3-4-18-5-7-19-8-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 281.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19152522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).