N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine

C15H26N4O — CID 115973571

IUPACN-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1cc(C)nc(NCCNC2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-11-14(20-2)19-15(18-12)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyXOLMOGOOBVLCDS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds6

About N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine

N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 115973571) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID115973571
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1cc(C)nc(NCCNC2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-11-14(20-2)19-15(18-12)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyXOLMOGOOBVLCDS-UHFFFAOYSA-N
XLogP2.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 115973571) is N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine is COc1cc(C)nc(NCCNC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is XOLMOGOOBVLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-11-14(20-2)19-15(18-12)17-10-9-16-13-7-5-3-4-6-8-13/h11,13,16H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine?
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).