2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136695053

IUPAC2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC2CCOC2C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-8(15-7-12-5-6-19-10(12)3)13-9(2)16-11(4)17-14(13)18/h8,10,12,15H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyATHRSAJIGQEKKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.46
Rot. Bonds4

About 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136695053) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one
PubChem CID136695053
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC2CCOC2C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-8(15-7-12-5-6-19-10(12)3)13-9(2)16-11(4)17-14(13)18/h8,10,12,15H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyATHRSAJIGQEKKH-UHFFFAOYSA-N
XLogP1.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-methoxybutylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135973735
5-[1-[(3-methoxy-2-methylpropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135990215
2,4-dimethyl-5-[1-(oxan-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136082020
5-[1-(3-ethoxypropylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091243
2,4-dimethyl-5-[1-(oxolan-2-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091262
2,4-dimethyl-5-[1-[3-(2-methylpropoxy)propylamino]ethyl]-1H-pyrimidin-6-one
CID 136091302
5-[1-(3-methoxypropylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091324
5-[1-[3-(cyclopropylmethoxy)propylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091328
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 136094330
2,4-dimethyl-5-[1-(3-propan-2-yloxypropylamino)ethyl]-1H-pyrimidin-6-one
CID 136101639
2,4-dimethyl-5-[1-(oxan-4-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136101651
5-[1-(1-methoxypentan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136115739

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one (CID 136695053) is 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCC2CCOC2C)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is ATHRSAJIGQEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(15-7-12-5-6-19-10(12)3)13-9(2)16-11(4)17-14(13)18/h8,10,12,15H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-[(2-methyloxolan-3-yl)methylamino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136695053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).