1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

C11H17N3O3 — CID 14097532

IUPAC1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](CO)[C@@H](N)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9+/m1/s1
InChIKeyTZIYRKWJUGUSFL-HLTSFMKQSA-N
MW239.27 g/mol
LogP-0.88
Rot. Bonds2

About 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 14097532) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID14097532
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](CO)[C@@H](N)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9+/m1/s1
InChIKeyTZIYRKWJUGUSFL-HLTSFMKQSA-N
XLogP-0.88
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
[(1R,2S,4S)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] benzoate
CID 101119425
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744
1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 122493318
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 14776483
1-[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101037148

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 14097532) is 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2C[C@H](CO)[C@@H](N)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is TZIYRKWJUGUSFL-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9+/m1/s1.
What are the key properties of 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14097532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).