4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

C16H22N6O2 — CID 136844457

IUPAC4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-11-19-13(6-15(23)20-11)14-10-22(4-5-24-14)9-12-7-17-16(18-8-12)21(2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,19,20,23)
InChIKeyNYNHOBAMKIUYKQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.51
Rot. Bonds4

About 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136844457) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136844457
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-11-19-13(6-15(23)20-11)14-10-22(4-5-24-14)9-12-7-17-16(18-8-12)21(2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,19,20,23)
InChIKeyNYNHOBAMKIUYKQ-UHFFFAOYSA-N
XLogP0.51
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-4-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844397
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030463
2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169722
N,N-dimethyl-5-[[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 124964770
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957
N,N-dimethyl-5-[[2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyrimidin-2-amine
CID 127249995
3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124956411
N,N,2-trimethyl-6-[(2R)-4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyridin-4-amine
CID 124990677

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 136844457) is 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NYNHOBAMKIUYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-19-13(6-15(23)20-11)14-10-22(4-5-24-14)9-12-7-17-16(18-8-12)21(2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,19,20,23).
What are the key properties of 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 330.39 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).