3-[(4-propylpyrimidin-2-yl)methyl]morpholine

C12H19N3O — CID 116901884

IUPAC3-[(4-propylpyrimidin-2-yl)methyl]morpholine
SMILESCCCc1ccnc(CC2COCCN2)n1
InChIInChI=1S/C12H19N3O/c1-2-3-10-4-5-14-12(15-10)8-11-9-16-7-6-13-11/h4-5,11,13H,2-3,6-9H2,1H3
InChIKeyNVLRGAMKDMGBBI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds4

About 3-[(4-propylpyrimidin-2-yl)methyl]morpholine

3-[(4-propylpyrimidin-2-yl)methyl]morpholine (PubChem CID 116901884) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(4-propylpyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(4-propylpyrimidin-2-yl)methyl]morpholine
PubChem CID116901884
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(4-propylpyrimidin-2-yl)methyl]morpholine
SMILESCCCc1ccnc(CC2COCCN2)n1
InChIInChI=1S/C12H19N3O/c1-2-3-10-4-5-14-12(15-10)8-11-9-16-7-6-13-11/h4-5,11,13H,2-3,6-9H2,1H3
InChIKeyNVLRGAMKDMGBBI-UHFFFAOYSA-N
XLogP0.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
N-methyl-N-(2-morpholin-3-ylethyl)-6-propylpyridazin-3-amine
CID 116974083
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine
CID 55253377
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
CID 118936174
4-butyl-2-propylpyrimidine
CID 20597890
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 116890422
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 3-[(4-propylpyrimidin-2-yl)methyl]morpholine (CID 116901884) is 3-[(4-propylpyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 3-[(4-propylpyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 3-[(4-propylpyrimidin-2-yl)methyl]morpholine is CCCc1ccnc(CC2COCCN2)n1.
What is the InChIKey of 3-[(4-propylpyrimidin-2-yl)methyl]morpholine?
The InChIKey is NVLRGAMKDMGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-10-4-5-14-12(15-10)8-11-9-16-7-6-13-11/h4-5,11,13H,2-3,6-9H2,1H3.
What are the key properties of 3-[(4-propylpyrimidin-2-yl)methyl]morpholine?
3-[(4-propylpyrimidin-2-yl)methyl]morpholine has a molecular weight of 221.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 116901884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).