1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione

C11H17N3O4 — CID 110153692

IUPAC1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](CN)[C@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-5-4-14(11(18)13-10(5)17)7-2-6(3-12)8(15)9(7)16/h4,6-9,15-16H,2-3,12H2,1H3,(H,13,17,18)/t6-,7+,8+,9+/m1/s1
InChIKeyDCNSVOCUYGRSQU-XGEHTFHBSA-N
MW255.27 g/mol
LogP-1.91
Rot. Bonds2

About 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione

1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 110153692) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID110153692
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](CN)[C@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-5-4-14(11(18)13-10(5)17)7-2-6(3-12)8(15)9(7)16/h4,6-9,15-16H,2-3,12H2,1H3,(H,13,17,18)/t6-,7+,8+,9+/m1/s1
InChIKeyDCNSVOCUYGRSQU-XGEHTFHBSA-N
XLogP-1.91
TPSA121.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
5-[[(1R,2S,3S,4S)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 110158343
1-[(1R,2R,3R,4S)-2,3-dihydroxy-4-[[[(1S)-1-phenylethyl]amino]methyl]cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 110154034
[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
CID 19047313
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione (CID 110153692) is 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](CN)[C@H](O)[C@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DCNSVOCUYGRSQU-XGEHTFHBSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-5-4-14(11(18)13-10(5)17)7-2-6(3-12)8(15)9(7)16/h4,6-9,15-16H,2-3,12H2,1H3,(H,13,17,18)/t6-,7+,8+,9+/m1/s1.
What are the key properties of 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 255.27 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 110153692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).