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

C12H20F2N4O3 — CID 103731291

IUPAC6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C12H20F2N4O3/c1-3-4-5-18-10(15)8(11(20)17(2)12(18)21)16-6-7(19)9(13)14/h7,9,16,19H,3-6,15H2,1-2H3
InChIKeyGIPWXCLALHIQIX-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.03
Rot. Bonds7

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

6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione (PubChem CID 103731291) has the molecular formula C12H20F2N4O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione
PubChem CID103731291
Molecular FormulaC12H20F2N4O3
Molecular Weight306.31 g/mol
Exact Mass306.15
IUPAC Name6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C12H20F2N4O3/c1-3-4-5-18-10(15)8(11(20)17(2)12(18)21)16-6-7(19)9(13)14/h7,9,16,19H,3-6,15H2,1-2H3
InChIKeyGIPWXCLALHIQIX-UHFFFAOYSA-N
XLogP-0.03
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione (CID 103731291) is 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NCC(O)C(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione?
The InChIKey is GIPWXCLALHIQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O3/c1-3-4-5-18-10(15)8(11(20)17(2)12(18)21)16-6-7(19)9(13)14/h7,9,16,19H,3-6,15H2,1-2H3.
What are the key properties of 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione has a molecular weight of 306.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 103731291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).