2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

C13H23N3O2 — CID 136723598

IUPAC2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)CCOC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-10-15-11(8-12(17)16-10)14-9-13(2,3)6-7-18-4/h8H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyNAQPGIGOHQFWFM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.81
Rot. Bonds7

About 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136723598) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136723598
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)CCOC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-10-15-11(8-12(17)16-10)14-9-13(2,3)6-7-18-4/h8H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyNAQPGIGOHQFWFM-UHFFFAOYSA-N
XLogP1.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
2-tert-butyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294347
2-tert-butyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294354
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216
2-ethyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764963

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (CID 136723598) is 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCC(C)(C)CCOC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NAQPGIGOHQFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-10-15-11(8-12(17)16-10)14-9-13(2,3)6-7-18-4/h8H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).