2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide

C9H12N4O — CID 83878076

IUPAC2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1nc(C2CC2)ncc1OC
InChIInChI=1S/C9H12N4O/c1-14-6-4-12-9(5-2-3-5)13-7(6)8(10)11/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeySHEKIUUBCFUMKJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.65
Rot. Bonds3

About 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide

2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide (PubChem CID 83878076) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
PubChem CID83878076
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1nc(C2CC2)ncc1OC
InChIInChI=1S/C9H12N4O/c1-14-6-4-12-9(5-2-3-5)13-7(6)8(10)11/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeySHEKIUUBCFUMKJ-UHFFFAOYSA-N
XLogP0.65
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.65
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

5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
CID 83824583
2-cyclohexyl-5-methoxypyrimidin-4-amine
CID 83820292
2-cyclopropyl-6,7-dimethoxyquinazoline
CID 90237474
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
CID 82437362
2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
CID 83896746
3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
CID 122129858
5-methoxyisoquinoline-1-carboximidamide
CID 82573377
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide
CID 176966040
1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one
CID 83882775
2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
CID 83878019
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
4-(1,1-dioxothiolan-3-yl)oxy-3-methoxybenzenecarboximidamide
CID 54914693

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide?
The IUPAC name of 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide (CID 83878076) is 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide is [H]/N=C(\N)c1nc(C2CC2)ncc1OC.
What is the InChIKey of 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide?
The InChIKey is SHEKIUUBCFUMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-14-6-4-12-9(5-2-3-5)13-7(6)8(10)11/h4-5H,2-3H2,1H3,(H3,10,11).
What are the key properties of 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide?
2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide is sourced from PubChem (CID 83878076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).