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

C11H18F2N4O3 — CID 103731270

IUPAC6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18F2N4O3/c1-2-3-4-17-9(14)7(10(19)16-11(17)20)15-5-6(18)8(12)13/h6,8,15,18H,2-5,14H2,1H3,(H,16,19,20)
InChIKeyQGQDCWDXESQZHB-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.04
Rot. Bonds7

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

6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione (PubChem CID 103731270) has the molecular formula C11H18F2N4O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione
PubChem CID103731270
Molecular FormulaC11H18F2N4O3
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18F2N4O3/c1-2-3-4-17-9(14)7(10(19)16-11(17)20)15-5-6(18)8(12)13/h6,8,15,18H,2-5,14H2,1H3,(H,16,19,20)
InChIKeyQGQDCWDXESQZHB-UHFFFAOYSA-N
XLogP-0.04
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-Hydroxypropyl)-1,3-dimethyl-8,9-dihydropurine-2,6-dione
CID 466065
N-[4-amino-1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 4431438
N-[4-amino-1-[2-(butan-2-ylamino)-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 4831538
5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide
CID 143220603
5-(2-aminopropylamino)-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione
CID 145925555
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 4963890
N-[4-amino-1-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 26917987
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 29468672
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 30256315
N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 41093815
N-[4-amino-1-(2-amino-2-oxoethyl)-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 41985128
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 46690380

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione (CID 103731270) is 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione?
The InChIKey is QGQDCWDXESQZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O3/c1-2-3-4-17-9(14)7(10(19)16-11(17)20)15-5-6(18)8(12)13/h6,8,15,18H,2-5,14H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione has a molecular weight of 292.29 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 103731270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).