(N,N,N'-trimethylcarbamimidoyl)urea

C5H12N4O — CID 163885409

IUPAC(N,N,N'-trimethylcarbamimidoyl)urea
SMILESC/N=C(/NC(N)=O)N(C)C
InChIInChI=1S/C5H12N4O/c1-7-5(9(2)3)8-4(6)10/h1-3H3,(H3,6,7,8,10)
InChIKeyPWXBSWLERHAIDM-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.80
Rot. Bonds

About (N,N,N'-trimethylcarbamimidoyl)urea

(N,N,N'-trimethylcarbamimidoyl)urea (PubChem CID 163885409) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is (N,N,N'-trimethylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N,N,N'-trimethylcarbamimidoyl)urea
PubChem CID163885409
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name(N,N,N'-trimethylcarbamimidoyl)urea
SMILESC/N=C(/NC(N)=O)N(C)C
InChIInChI=1S/C5H12N4O/c1-7-5(9(2)3)8-4(6)10/h1-3H3,(H3,6,7,8,10)
InChIKeyPWXBSWLERHAIDM-UHFFFAOYSA-N
XLogP-0.80
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233
copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
1-(dimethylamino)ethylurea
CID 169101887
N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide
CID 111383504
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
CID 174966153
CID 174966153
heptanoic acid;1,1,2,3-tetramethylguanidine
CID 87627188
1-methyl-3-(N'-methylcarbamimidoyl)-1-(methyliminomethyl)urea
CID 174330937
but-1-ene;carbamoylurea
CID 174833277
1,1,3,3-tetramethylurea;urea
CID 158796669
2-methyl-1-[tris(dimethylamino)methyl]guanidine
CID 57200602

Frequently Asked Questions

What is the IUPAC name of (N,N,N'-trimethylcarbamimidoyl)urea?
The IUPAC name of (N,N,N'-trimethylcarbamimidoyl)urea (CID 163885409) is (N,N,N'-trimethylcarbamimidoyl)urea.
What is the SMILES notation for (N,N,N'-trimethylcarbamimidoyl)urea?
The canonical SMILES for (N,N,N'-trimethylcarbamimidoyl)urea is C/N=C(/NC(N)=O)N(C)C.
What is the InChIKey of (N,N,N'-trimethylcarbamimidoyl)urea?
The InChIKey is PWXBSWLERHAIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-7-5(9(2)3)8-4(6)10/h1-3H3,(H3,6,7,8,10).
What are the key properties of (N,N,N'-trimethylcarbamimidoyl)urea?
(N,N,N'-trimethylcarbamimidoyl)urea has a molecular weight of 144.18 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N,N,N'-trimethylcarbamimidoyl)urea is sourced from PubChem (CID 163885409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).