(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine

C9H15N3O — CID 123400735

IUPAC(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1C1=NCCC=N1
InChIInChI=1S/C9H15N3O/c1-8-7-13-6-5-12(8)9-10-3-2-4-11-9/h3,8H,2,4-7H2,1H3/t8-/m0/s1
InChIKeyOZHJCGASBPTYLQ-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.54
Rot. Bonds

About (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine

(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine (PubChem CID 123400735) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine
PubChem CID123400735
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1C1=NCCC=N1
InChIInChI=1S/C9H15N3O/c1-8-7-13-6-5-12(8)9-10-3-2-4-11-9/h3,8H,2,4-7H2,1H3/t8-/m0/s1
InChIKeyOZHJCGASBPTYLQ-QMMMGPOBSA-N
XLogP0.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine (CID 123400735) is (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine is C[C@H]1COCCN1C1=NCCC=N1.
What is the InChIKey of (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine?
The InChIKey is OZHJCGASBPTYLQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-7-13-6-5-12(8)9-10-3-2-4-11-9/h3,8H,2,4-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine?
(3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine has a molecular weight of 181.24 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4,5-dihydropyrimidin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 123400735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).