4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine

C18H25N5O — CID 19149168

IUPAC4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NC3CCCCCC3)c2N)cc1
InChIInChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-2-3-5-7-13/h8-13H,2-7,19H2,1H3,(H2,20,21,22,23)
InChIKeyHWLKSSISXQOBKJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.95
Rot. Bonds5

About 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine

4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149168) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19149168
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NC3CCCCCC3)c2N)cc1
InChIInChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-2-3-5-7-13/h8-13H,2-7,19H2,1H3,(H2,20,21,22,23)
InChIKeyHWLKSSISXQOBKJ-UHFFFAOYSA-N
XLogP3.95
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
6-N-(4-butoxyphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19143097
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
N-[4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19153335
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19154101
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19149168) is 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(NC3CCCCCC3)c2N)cc1.
What is the InChIKey of 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HWLKSSISXQOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-2-3-5-7-13/h8-13H,2-7,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 327.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).