4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine

C17H30N4 — CID 80771825

IUPAC4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCCCC2)c1CCC
InChIInChI=1S/C17H30N4/c1-3-9-15-16(18-12-4-2)19-13-20-17(15)21-14-10-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyNWGCVNMEVKVWHD-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.39
Rot. Bonds7

About 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80771825) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80771825
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCCCC2)c1CCC
InChIInChI=1S/C17H30N4/c1-3-9-15-16(18-12-4-2)19-13-20-17(15)21-14-10-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyNWGCVNMEVKVWHD-UHFFFAOYSA-N
XLogP4.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652
5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80816175
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80771825) is 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCCCCC2)c1CCC.
What is the InChIKey of 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is NWGCVNMEVKVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-9-15-16(18-12-4-2)19-13-20-17(15)21-14-10-7-5-6-8-11-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).