4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine

C14H23FN4 — CID 166783661

IUPAC4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC1CCCCC1)c1ncnc(NC)c1F
InChIInChI=1S/C14H23FN4/c1-3-19(9-11-7-5-4-6-8-11)14-12(15)13(16-2)17-10-18-14/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyPZNQNFONNPWSIO-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.06
Rot. Bonds5

About 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine (PubChem CID 166783661) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine
PubChem CID166783661
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC1CCCCC1)c1ncnc(NC)c1F
InChIInChI=1S/C14H23FN4/c1-3-19(9-11-7-5-4-6-8-11)14-12(15)13(16-2)17-10-18-14/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyPZNQNFONNPWSIO-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine (CID 166783661) is 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine is CCN(CC1CCCCC1)c1ncnc(NC)c1F.
What is the InChIKey of 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PZNQNFONNPWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-19(9-11-7-5-4-6-8-11)14-12(15)13(16-2)17-10-18-14/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-4-N-ethyl-5-fluoro-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 166783661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).