4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

C11H17ClN4O — CID 76806771

IUPAC4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCCC1COCCN1c1cc(Cl)nc(NC)n1
InChIInChI=1S/C11H17ClN4O/c1-3-8-7-17-5-4-16(8)10-6-9(12)14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZXTWOMSMZNRFHJ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.79
Rot. Bonds3

About 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 76806771) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID76806771
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCCC1COCCN1c1cc(Cl)nc(NC)n1
InChIInChI=1S/C11H17ClN4O/c1-3-8-7-17-5-4-16(8)10-6-9(12)14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZXTWOMSMZNRFHJ-UHFFFAOYSA-N
XLogP1.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
4-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-2,6-difluorobenzonitrile
CID 58504475
6-(3-ethylmorpholin-4-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80789304
6-(3-ethylmorpholin-4-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968023
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
CID 70886740
6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
CID 75150958
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876
1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
CID 133476628
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 76561309
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504676
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
CID 61257087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (CID 76806771) is 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is CCC1COCCN1c1cc(Cl)nc(NC)n1.
What is the InChIKey of 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is ZXTWOMSMZNRFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-8-7-17-5-4-16(8)10-6-9(12)14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 76806771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).