[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea

C6H11N5O2 — CID 11458107

IUPAC[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCN[C@H]1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13)/t3-/m0/s1
InChIKeyYZYUOXBMEKWXLI-VKHMYHEASA-N
MW185.19 g/mol
LogP-2.27
Rot. Bonds1

About [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea

[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (PubChem CID 11458107) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
PubChem CID11458107
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCN[C@H]1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13)/t3-/m0/s1
InChIKeyYZYUOXBMEKWXLI-VKHMYHEASA-N
XLogP-2.27
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2,5-diamino-(6CI,7CI,9CI)
CID 446311
[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
CID 158689468
(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 642680
2-[(2-Amino-5-oxo-1,4-dihydroimidazol-4-yl)methyl]guanidine
CID 21678262
2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 21727857
2-[(2-Imino-5-oxoimidazolidin-4-yl)methyl]guanidine
CID 177467852
1H-Purine-2,6-dione, 3,4,5,9-tetrahydro-1,3-dimethyl-
CID 3052767
2-Amino-5,7-dihydro-3H-purin-6(4H)-one
CID 3303015
Urea, [1,4,5,6-tetrahydro-5-(methylamino)-4-oxo-2-pyrimidinyl]-
CID 10607569
3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
CID 10729747
2,5-Diamino-5,6-dihydropyrimidin-4(1H)-one
CID 12736612
3-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 15765823

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The IUPAC name of [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (CID 11458107) is [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The canonical SMILES for [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is CN[C@H]1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The InChIKey is YZYUOXBMEKWXLI-VKHMYHEASA-N. The full InChI is InChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13)/t3-/m0/s1.
What are the key properties of [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea has a molecular weight of 185.19 g/mol, XLogP of -2.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 11458107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).