2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide

C11H17N5 — CID 107550526

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17N5/c1-7-5-8(7)6-16(2)11-14-4-3-9(15-11)10(12)13/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13)
InChIKeyACYAKAFJSPMYMU-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.85
Rot. Bonds4

About 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide

2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide (PubChem CID 107550526) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
PubChem CID107550526
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17N5/c1-7-5-8(7)6-16(2)11-14-4-3-9(15-11)10(12)13/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13)
InChIKeyACYAKAFJSPMYMU-UHFFFAOYSA-N
XLogP0.85
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.85
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

2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
2-[methyl-[(3-methylphenyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550218
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550273
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
CID 107550615
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
CID 79519909
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 63865694

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide (CID 107550526) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)CC2CC2C)n1.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide?
The InChIKey is ACYAKAFJSPMYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-5-8(7)6-16(2)11-14-4-3-9(15-11)10(12)13/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).