5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine

C12H19ClN4O2 — CID 115733628

IUPAC5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
SMILESCCN1CCOC(CNc2nc(OC)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4O2/c1-3-17-4-5-19-9(8-17)6-14-11-10(13)7-15-12(16-11)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMKCWMMPHDCGZNW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.27
Rot. Bonds5

About 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine (PubChem CID 115733628) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
PubChem CID115733628
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
SMILESCCN1CCOC(CNc2nc(OC)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4O2/c1-3-17-4-5-19-9(8-17)6-14-11-10(13)7-15-12(16-11)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMKCWMMPHDCGZNW-UHFFFAOYSA-N
XLogP1.27
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-chloro-2-methoxypyrimidin-4-amine
CID 80757942
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
N-[(4-ethylmorpholin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114401570
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine (CID 115733628) is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine is CCN1CCOC(CNc2nc(OC)ncc2Cl)C1.
What is the InChIKey of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine?
The InChIKey is MKCWMMPHDCGZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-3-17-4-5-19-9(8-17)6-14-11-10(13)7-15-12(16-11)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine?
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine has a molecular weight of 286.76 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 115733628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).