4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one

C8H12F2N4O2 — CID 136979148

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(F)(F)CN)nc[nH]c1=O
InChIInChI=1S/C8H12F2N4O2/c1-16-5-6(13-4-14-7(5)15)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H2,12,13,14,15)
InChIKeyUTNPMTOPKUJRJA-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.22
Rot. Bonds5

About 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979148) has the molecular formula C8H12F2N4O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979148
Molecular FormulaC8H12F2N4O2
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(F)(F)CN)nc[nH]c1=O
InChIInChI=1S/C8H12F2N4O2/c1-16-5-6(13-4-14-7(5)15)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H2,12,13,14,15)
InChIKeyUTNPMTOPKUJRJA-UHFFFAOYSA-N
XLogP-0.22
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136979148) is 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC(F)(F)CN)nc[nH]c1=O.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UTNPMTOPKUJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2/c1-16-5-6(13-4-14-7(5)15)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 234.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).