6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione

C12H17N5O2 — CID 79106040

IUPAC6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Nn2c(C)ccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O2/c1-4-16-10(13)9(11(18)14-12(16)19)15-17-7(2)5-6-8(17)3/h5-6,15H,4,13H2,1-3H3,(H,14,18,19)
InChIKeyBPNIWEMIGUWGDS-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.43
Rot. Bonds3

About 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione

6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione (PubChem CID 79106040) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione
PubChem CID79106040
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Nn2c(C)ccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O2/c1-4-16-10(13)9(11(18)14-12(16)19)15-17-7(2)5-6-8(17)3/h5-6,15H,4,13H2,1-3H3,(H,14,18,19)
InChIKeyBPNIWEMIGUWGDS-UHFFFAOYSA-N
XLogP0.43
TPSA97.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione (CID 79106040) is 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(Nn2c(C)ccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione?
The InChIKey is BPNIWEMIGUWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-16-10(13)9(11(18)14-12(16)19)15-17-7(2)5-6-8(17)3/h5-6,15H,4,13H2,1-3H3,(H,14,18,19).
What are the key properties of 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 79106040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).