6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine

C12H20N4O — CID 19135344

IUPAC6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C12H20N4O/c1-2-14-11-10(13)12(16-8-15-11)17-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16)
InChIKeySRSYFZXQDZBAPW-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.20
Rot. Bonds4

About 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine

6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine (PubChem CID 19135344) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine
PubChem CID19135344
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C12H20N4O/c1-2-14-11-10(13)12(16-8-15-11)17-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16)
InChIKeySRSYFZXQDZBAPW-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine (CID 19135344) is 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine is CCNc1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine?
The InChIKey is SRSYFZXQDZBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-14-11-10(13)12(16-8-15-11)17-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).