1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione

C13H23N3O2 — CID 54954846

IUPAC1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione
SMILESCCC(NCc1cn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C13H23N3O2/c1-6-11(9(2)3)14-7-10-8-15(4)13(18)16(5)12(10)17/h8-9,11,14H,6-7H2,1-5H3
InChIKeyDRWKXFHBCBMNCN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.61
Rot. Bonds5

About 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 54954846) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID54954846
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione
SMILESCCC(NCc1cn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C13H23N3O2/c1-6-11(9(2)3)14-7-10-8-15(4)13(18)16(5)12(10)17/h8-9,11,14H,6-7H2,1-5H3
InChIKeyDRWKXFHBCBMNCN-UHFFFAOYSA-N
XLogP0.61
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione (CID 54954846) is 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione is CCC(NCc1cn(C)c(=O)n(C)c1=O)C(C)C.
What is the InChIKey of 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is DRWKXFHBCBMNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-11(9(2)3)14-7-10-8-15(4)13(18)16(5)12(10)17/h8-9,11,14H,6-7H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-methylpentan-3-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54954846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).