6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione

C8H12F2N4O3 — CID 103731301

IUPAC6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12F2N4O3/c1-14-6(11)4(7(16)13-8(14)17)12-2-3(15)5(9)10/h3,5,12,15H,2,11H2,1H3,(H,13,16,17)
InChIKeyBUTMWEZEUYNTSZ-UHFFFAOYSA-N
MW250.20 g/mol
LogP-1.31
Rot. Bonds4

About 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 103731301) has the molecular formula C8H12F2N4O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID103731301
Molecular FormulaC8H12F2N4O3
Molecular Weight250.20 g/mol
Exact Mass250.09
IUPAC Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12F2N4O3/c1-14-6(11)4(7(16)13-8(14)17)12-2-3(15)5(9)10/h3,5,12,15H,2,11H2,1H3,(H,13,16,17)
InChIKeyBUTMWEZEUYNTSZ-UHFFFAOYSA-N
XLogP-1.31
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione (CID 103731301) is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is BUTMWEZEUYNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O3/c1-14-6(11)4(7(16)13-8(14)17)12-2-3(15)5(9)10/h3,5,12,15H,2,11H2,1H3,(H,13,16,17).
What are the key properties of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 250.20 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 103731301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).