2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide

C12H19N5 — CID 107550138

IUPAC2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC)C2CC2)n1
InChIInChI=1S/C12H19N5/c1-3-6-17(9-4-5-9)12-15-8(2)7-10(16-12)11(13)14/h7,9H,3-6H2,1-2H3,(H3,13,14)
InChIKeyHSSLHYOUSRLZOB-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.45
Rot. Bonds5

About 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide

2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550138) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550138
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC)C2CC2)n1
InChIInChI=1S/C12H19N5/c1-3-6-17(9-4-5-9)12-15-8(2)7-10(16-12)11(13)14/h7,9H,3-6H2,1-2H3,(H3,13,14)
InChIKeyHSSLHYOUSRLZOB-UHFFFAOYSA-N
XLogP1.45
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.45
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-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 107550138) is 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CCC)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is HSSLHYOUSRLZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-6-17(9-4-5-9)12-15-8(2)7-10(16-12)11(13)14/h7,9H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide?
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).