4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine

C13H23N5 — CID 68976534

IUPAC4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C)nc1NC1CCC(N)CC1
InChIInChI=1S/C13H23N5/c1-9-8-15-13(18(2)3)17-12(9)16-11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyNDFYWZLCZROFJC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.53
Rot. Bonds3

About 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine

4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 68976534) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID68976534
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C)nc1NC1CCC(N)CC1
InChIInChI=1S/C13H23N5/c1-9-8-15-13(18(2)3)17-12(9)16-11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyNDFYWZLCZROFJC-UHFFFAOYSA-N
XLogP1.53
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine (CID 68976534) is 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(N(C)C)nc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is NDFYWZLCZROFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9-8-15-13(18(2)3)17-12(9)16-11-6-4-10(14)5-7-11/h8,10-11H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine?
4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 68976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).