2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine

C17H30N4 — CID 112899961

IUPAC2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C17H30N4/c1-3-13-21(14-4-2)16-11-12-18-17(20-16)19-15-9-7-5-6-8-10-15/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19,20)
InChIKeyYXQOBEPZWAXYIJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.24
Rot. Bonds7

About 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112899961) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112899961
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C17H30N4/c1-3-13-21(14-4-2)16-11-12-18-17(20-16)19-15-9-7-5-6-8-10-15/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19,20)
InChIKeyYXQOBEPZWAXYIJ-UHFFFAOYSA-N
XLogP4.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112899961) is 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(NC2CCCCCC2)n1.
What is the InChIKey of 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is YXQOBEPZWAXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-13-21(14-4-2)16-11-12-18-17(20-16)19-15-9-7-5-6-8-10-15/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).