1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine

C11H15ClN4O — CID 121428505

IUPAC1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C11H15ClN4O/c12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h7H,1-6,13H2
InChIKeyXUTCMKNJFYIABB-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.91
Rot. Bonds2

About 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine

1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine (PubChem CID 121428505) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
PubChem CID121428505
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C11H15ClN4O/c12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h7H,1-6,13H2
InChIKeyXUTCMKNJFYIABB-UHFFFAOYSA-N
XLogP0.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
CID 145100368
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
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
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 87606299
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-isocyanoacetonitrile;4-(4,6-dichloropyrimidin-2-yl)morpholine
CID 161152526
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine (CID 121428505) is 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine is NC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine?
The InChIKey is XUTCMKNJFYIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h7H,1-6,13H2.
What are the key properties of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine?
1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine has a molecular weight of 254.72 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 121428505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).