[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone

C15H22N4O2 — CID 128969879

IUPAC[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCN(CC1CC1)CC1CN(C(=O)c2cncnc2)CCO1
InChIInChI=1S/C15H22N4O2/c1-18(8-12-2-3-12)9-14-10-19(4-5-21-14)15(20)13-6-16-11-17-7-13/h6-7,11-12,14H,2-5,8-10H2,1H3
InChIKeyPNYAJFGZAOSVCV-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.66
Rot. Bonds5

About [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone

[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone (PubChem CID 128969879) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
PubChem CID128969879
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCN(CC1CC1)CC1CN(C(=O)c2cncnc2)CCO1
InChIInChI=1S/C15H22N4O2/c1-18(8-12-2-3-12)9-14-10-19(4-5-21-14)15(20)13-6-16-11-17-7-13/h6-7,11-12,14H,2-5,8-10H2,1H3
InChIKeyPNYAJFGZAOSVCV-UHFFFAOYSA-N
XLogP0.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 129334520
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 129336719
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342482
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129343529

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone (CID 128969879) is [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone is CN(CC1CC1)CC1CN(C(=O)c2cncnc2)CCO1.
What is the InChIKey of [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone?
The InChIKey is PNYAJFGZAOSVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(8-12-2-3-12)9-14-10-19(4-5-21-14)15(20)13-6-16-11-17-7-13/h6-7,11-12,14H,2-5,8-10H2,1H3.
What are the key properties of [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone?
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 128969879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).