4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline

C18H22N4O2 — CID 59634543

IUPAC4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline
SMILESC[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CCCO2
InChIInChI=1S/C18H22N4O2/c1-12-11-23-10-8-22(12)17-15-3-2-9-24-18(15)21-16(20-17)13-4-6-14(19)7-5-13/h4-7,12H,2-3,8-11,19H2,1H3/t12-/m0/s1
InChIKeyZNXNDRNCHSZXFD-LBPRGKRZSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds2

About 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline

4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline (PubChem CID 59634543) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline
PubChem CID59634543
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline
SMILESC[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CCCO2
InChIInChI=1S/C18H22N4O2/c1-12-11-23-10-8-22(12)17-15-3-2-9-24-18(15)21-16(20-17)13-4-6-14(19)7-5-13/h4-7,12H,2-3,8-11,19H2,1H3/t12-/m0/s1
InChIKeyZNXNDRNCHSZXFD-LBPRGKRZSA-N
XLogP2.28
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)urea
CID 59634519
4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 68555623
2-[2-(4-aminophenyl)-7-methyl-6-[(3S)-3-methylmorpholin-4-yl]purin-8-yl]propan-2-ol
CID 118944668
1-cyclobutyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]urea
CID 77453133
6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
CID 59634463
4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-N-oxidoaniline
CID 140586056
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
2-fluoro-4-[4-(3-methylmorpholin-4-yl)-5H-pyrrolo[3,4-d]pyrimidin-2-yl]aniline
CID 123950822
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44816976
1-methyl-3-[4-[4-(3-methylmorpholin-4-yl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 78107134

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline?
The IUPAC name of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline (CID 59634543) is 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline.
What is the SMILES notation for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline?
The canonical SMILES for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline is C[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CCCO2.
What is the InChIKey of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline?
The InChIKey is ZNXNDRNCHSZXFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-23-10-8-22(12)17-15-3-2-9-24-18(15)21-16(20-17)13-4-6-14(19)7-5-13/h4-7,12H,2-3,8-11,19H2,1H3/t12-/m0/s1.
What are the key properties of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline?
4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline has a molecular weight of 326.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline is sourced from PubChem (CID 59634543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).