4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one

C12H22N4O2 — CID 136973601

IUPAC4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)CN(C)C)nc[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-12(2,7-16(3)4)6-13-10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H2,13,14,15,17)
InChIKeyWRICQNOQZFMHDO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.78
Rot. Bonds6

About 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973601) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973601
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)CN(C)C)nc[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-12(2,7-16(3)4)6-13-10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H2,13,14,15,17)
InChIKeyWRICQNOQZFMHDO-UHFFFAOYSA-N
XLogP0.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 136973601) is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC(C)(C)CN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WRICQNOQZFMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,7-16(3)4)6-13-10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H2,13,14,15,17).
What are the key properties of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).