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

C9H14F2N4O3 — CID 103731271

IUPAC6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14F2N4O3/c1-2-15-7(12)5(8(17)14-9(15)18)13-3-4(16)6(10)11/h4,6,13,16H,2-3,12H2,1H3,(H,14,17,18)
InChIKeyMYWQNXKCMPPLCX-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.82
Rot. Bonds5

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

6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione (PubChem CID 103731271) has the molecular formula C9H14F2N4O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
PubChem CID103731271
Molecular FormulaC9H14F2N4O3
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14F2N4O3/c1-2-15-7(12)5(8(17)14-9(15)18)13-3-4(16)6(10)11/h4,6,13,16H,2-3,12H2,1H3,(H,14,17,18)
InChIKeyMYWQNXKCMPPLCX-UHFFFAOYSA-N
XLogP-0.82
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.82
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-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione (CID 103731271) is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione is CCn1c(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-ethylpyrimidine-2,4-dione?
The InChIKey is MYWQNXKCMPPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O3/c1-2-15-7(12)5(8(17)14-9(15)18)13-3-4(16)6(10)11/h4,6,13,16H,2-3,12H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione has a molecular weight of 264.23 g/mol, XLogP of -0.82, 5 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-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 103731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).