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

C7H13N5O2 — CID 22995888

IUPAC[5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCCNC1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C7H13N5O2/c1-2-9-4-3-10-7(11-5(4)13)12-6(8)14/h4,9H,2-3H2,1H3,(H4,8,10,11,12,13,14)
InChIKeyGFZWYJYFJLYYTE-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.88
Rot. Bonds2

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

[5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (PubChem CID 22995888) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
PubChem CID22995888
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name[5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCCNC1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C7H13N5O2/c1-2-9-4-3-10-7(11-5(4)13)12-6(8)14/h4,9H,2-3H2,1H3,(H4,8,10,11,12,13,14)
InChIKeyGFZWYJYFJLYYTE-UHFFFAOYSA-N
XLogP-1.88
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.88
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-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 21727857
2-[(2-Imino-5-oxoimidazolidin-4-yl)methyl]guanidine
CID 177467852
2-Amino-5,7-dihydro-3H-purin-6(4H)-one
CID 3303015
2-amino-9-ethyl-4,5-dihydro-1H-purin-6-one
CID 10120447
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
[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
CID 11458107
2,5-Diamino-5,6-dihydropyrimidin-4(1H)-one
CID 12736612
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The IUPAC name of [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (CID 22995888) is [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The canonical SMILES for [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is CCNC1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The InChIKey is GFZWYJYFJLYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-2-9-4-3-10-7(11-5(4)13)12-6(8)14/h4,9H,2-3H2,1H3,(H4,8,10,11,12,13,14).
What are the key properties of [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
[5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea has a molecular weight of 199.21 g/mol, XLogP of -1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 22995888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).