3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine

C14H20N4O2 — CID 164637085

IUPAC3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCOC[C@@H]3CC(C)C)c12
InChIInChI=1S/C14H20N4O2/c1-9(2)6-11-7-19-5-4-18(11)13-12-10(3)17-20-14(12)16-8-15-13/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeySJZAZCMZEWHCJV-NSHDSACASA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds3

About 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 164637085) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID164637085
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCOC[C@@H]3CC(C)C)c12
InChIInChI=1S/C14H20N4O2/c1-9(2)6-11-7-19-5-4-18(11)13-12-10(3)17-20-14(12)16-8-15-13/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeySJZAZCMZEWHCJV-NSHDSACASA-N
XLogP2.18
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 126789303
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124873990
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
CID 72923022
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
N-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105223
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 20929246
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine (CID 164637085) is 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCOC[C@@H]3CC(C)C)c12.
What is the InChIKey of 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is SJZAZCMZEWHCJV-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)6-11-7-19-5-4-18(11)13-12-10(3)17-20-14(12)16-8-15-13/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 164637085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).