6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide

C13H15N5 — CID 130551332

IUPAC6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C13H15N5/c1-18(8-10-5-3-2-4-6-10)12-7-11(13(14)15)16-9-17-12/h2-7,9H,8H2,1H3,(H3,14,15)
InChIKeyZLWXAAUNVCXBIV-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.40
Rot. Bonds4

About 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide

6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide (PubChem CID 130551332) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
PubChem CID130551332
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C13H15N5/c1-18(8-10-5-3-2-4-6-10)12-7-11(13(14)15)16-9-17-12/h2-7,9H,8H2,1H3,(H3,14,15)
InChIKeyZLWXAAUNVCXBIV-UHFFFAOYSA-N
XLogP1.40
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109347875
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466
methyl 3-[[6-[benzyl(methyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347849
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 64596135
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide (CID 130551332) is 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(N(C)Cc2ccccc2)ncn1.
What is the InChIKey of 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is ZLWXAAUNVCXBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18(8-10-5-3-2-4-6-10)12-7-11(13(14)15)16-9-17-12/h2-7,9H,8H2,1H3,(H3,14,15).
What are the key properties of 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide?
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 241.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 130551332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).