N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine

C12H18N4O — CID 97484647

IUPACN-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCC2)nc([C@@H]2COCCN2)n1
InChIInChI=1S/C12H18N4O/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16)/t10-/m0/s1
InChIKeyMZZHVGPXRNGLBO-JTQLQIEISA-N
MW234.30 g/mol
LogP1.10
Rot. Bonds3

About N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine

N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97484647) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
PubChem CID97484647
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCC2)nc([C@@H]2COCCN2)n1
InChIInChI=1S/C12H18N4O/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16)/t10-/m0/s1
InChIKeyMZZHVGPXRNGLBO-JTQLQIEISA-N
XLogP1.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826082
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
CID 116901807
N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 97486462
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846768
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
N-(1,4-dioxepan-6-yl)-2-fluoropyrimidin-4-amine
CID 164645316
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine (CID 97484647) is N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine is c1cc(NC2CCC2)nc([C@@H]2COCCN2)n1.
What is the InChIKey of N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is MZZHVGPXRNGLBO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16)/t10-/m0/s1.
What are the key properties of N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine?
N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).