2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide

C11H15N7 — CID 107550273

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-14-4-3-9(16-11)10(12)13/h3-5,7H,6H2,1-2H3,(H3,12,13)
InChIKeyDMXMCIHLKIXSLO-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.13
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide (PubChem CID 107550273) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
PubChem CID107550273
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-14-4-3-9(16-11)10(12)13/h3-5,7H,6H2,1-2H3,(H3,12,13)
InChIKeyDMXMCIHLKIXSLO-UHFFFAOYSA-N
XLogP0.13
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
2-[methyl-[(3-methylphenyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550218
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
4-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 70737694
4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133109438
[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
CID 61440138
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide (CID 107550273) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide?
The InChIKey is DMXMCIHLKIXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-14-4-3-9(16-11)10(12)13/h3-5,7H,6H2,1-2H3,(H3,12,13).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide has a molecular weight of 245.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).