2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide

C15H25N5 — CID 107550546

IUPAC2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N5/c1-15(2,3)11-5-4-9-20(10-7-11)14-18-8-6-12(19-14)13(16)17/h6,8,11H,4-5,7,9-10H2,1-3H3,(H3,16,17)
InChIKeyIOUSUKFSHQZMJO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide

2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550546) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550546
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N5/c1-15(2,3)11-5-4-9-20(10-7-11)14-18-8-6-12(19-14)13(16)17/h6,8,11H,4-5,7,9-10H2,1-3H3,(H3,16,17)
InChIKeyIOUSUKFSHQZMJO-UHFFFAOYSA-N
XLogP2.41
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.41
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-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
CID 107550482
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550754
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
CID 107550523
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide (CID 107550546) is 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is IOUSUKFSHQZMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-15(2,3)11-5-4-9-20(10-7-11)14-18-8-6-12(19-14)13(16)17/h6,8,11H,4-5,7,9-10H2,1-3H3,(H3,16,17).
What are the key properties of 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide?
2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).