6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H25N3O2 — CID 65039230

IUPAC6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(CC)(CC)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)15-10-11-9-12(18)17(5)13(19)16(11)4/h9,15H,6-8,10H2,1-5H3
InChIKeyKJJWDVJQDACPMM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.14
Rot. Bonds6

About 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 65039230) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID65039230
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(CC)(CC)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)15-10-11-9-12(18)17(5)13(19)16(11)4/h9,15H,6-8,10H2,1-5H3
InChIKeyKJJWDVJQDACPMM-UHFFFAOYSA-N
XLogP1.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 65039230) is 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CCC(CC)(CC)NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KJJWDVJQDACPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)15-10-11-9-12(18)17(5)13(19)16(11)4/h9,15H,6-8,10H2,1-5H3.
What are the key properties of 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 65039230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).