6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione

C12H22N4O3 — CID 54999293

IUPAC6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione
SMILESCCC(CC)N(CCO)c1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-4-8(5-2)16(6-7-17)9-10(13)15(3)12(19)14-11(9)18/h8,17H,4-7,13H2,1-3H3,(H,14,18,19)
InChIKeyJCSKDKGGKRHSSG-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.36
Rot. Bonds6

About 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 54999293) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID54999293
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione
SMILESCCC(CC)N(CCO)c1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-4-8(5-2)16(6-7-17)9-10(13)15(3)12(19)14-11(9)18/h8,17H,4-7,13H2,1-3H3,(H,14,18,19)
InChIKeyJCSKDKGGKRHSSG-UHFFFAOYSA-N
XLogP-0.36
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-5-((2-methoxyethyl)amino)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2113051
7-(2-Hydroxypropyl)-1,3-dimethyl-8,9-dihydropurine-2,6-dione
CID 466065
5-[bis(2-hydroxyethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 806135
Pteridine, 3,4,7,8-tetrahydro-2-hydroxy-8-(2-hydroxyethyl)-3,6,7-trimethyl-4-oxo-
CID 171383891
1-(2-hydroxyethyl)-3,7-dimethyl-9H-purine-2,6,8-trione
CID 10586107
5-(2-aminopropylamino)-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione
CID 145925555
5-[[(2S)-2-aminopropyl]amino]-6-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione
CID 145925559
2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetamide
CID 816965
6-Amino-1-isobutyl-5-[isobutyl(2-methoxyethyl)amino]-2,4(1h,3h)-pyrimidinedione
CID 45810893
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione
CID 103731300
6-Amino-3-methyl-1-propyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione
CID 105646954
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 105647581

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione (CID 54999293) is 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione is CCC(CC)N(CCO)c1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is JCSKDKGGKRHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-8(5-2)16(6-7-17)9-10(13)15(3)12(19)14-11(9)18/h8,17H,4-7,13H2,1-3H3,(H,14,18,19).
What are the key properties of 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-hydroxyethyl(pentan-3-yl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 54999293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).