4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine

C12H16ClN3O — CID 145100368

IUPAC4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
SMILESCC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3
InChIKeyOWKHEJOEQXWGIU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.02
Rot. Bonds2

About 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine (PubChem CID 145100368) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
PubChem CID145100368
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
SMILESCC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3
InChIKeyOWKHEJOEQXWGIU-UHFFFAOYSA-N
XLogP2.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
CID 121428505
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 87606299
2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-isocyanoacetonitrile;4-(4,6-dichloropyrimidin-2-yl)morpholine
CID 161152526
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
CID 87606474
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
CID 59507587
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine (CID 145100368) is 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine is CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine?
The InChIKey is OWKHEJOEQXWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3.
What are the key properties of 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine has a molecular weight of 253.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 145100368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).