1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione

C11H14N4O2 — CID 79100621

IUPAC1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNn2cccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2/c1-13-9(7-10(16)14(2)11(13)17)8-12-15-5-3-4-6-15/h3-7,12H,8H2,1-2H3
InChIKeyREMFRLHPKBGLQQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.37
Rot. Bonds3

About 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 79100621) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID79100621
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNn2cccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2/c1-13-9(7-10(16)14(2)11(13)17)8-12-15-5-3-4-6-15/h3-7,12H,8H2,1-2H3
InChIKeyREMFRLHPKBGLQQ-UHFFFAOYSA-N
XLogP-0.37
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione (CID 79100621) is 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione is Cn1c(CNn2cccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is REMFRLHPKBGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-13-9(7-10(16)14(2)11(13)17)8-12-15-5-3-4-6-15/h3-7,12H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79100621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).