6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide

C9H13N5 — CID 130654858

IUPAC6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C9H13N5/c1-5-12-7(9(10)11)4-8(13-5)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11)(H,12,13,14)
InChIKeyIZSWPINJRLQVBH-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.64
Rot. Bonds3

About 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide

6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide (PubChem CID 130654858) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide
PubChem CID130654858
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C9H13N5/c1-5-12-7(9(10)11)4-8(13-5)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11)(H,12,13,14)
InChIKeyIZSWPINJRLQVBH-UHFFFAOYSA-N
XLogP0.64
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide?
The IUPAC name of 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide (CID 130654858) is 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(NC2CC2)nc(C)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide?
The InChIKey is IZSWPINJRLQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-5-12-7(9(10)11)4-8(13-5)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11)(H,12,13,14).
What are the key properties of 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide?
6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide has a molecular weight of 191.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 130654858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).