4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine

C11H20N4O2 — CID 114102431

IUPAC4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC(COC)OC
InChIInChI=1S/C11H20N4O2/c1-4-9-10(12)14-7-15-11(9)13-5-8(17-3)6-16-2/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyMQSHSMIGPKYZGO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.69
Rot. Bonds7

About 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 114102431) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID114102431
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC(COC)OC
InChIInChI=1S/C11H20N4O2/c1-4-9-10(12)14-7-15-11(9)13-5-8(17-3)6-16-2/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyMQSHSMIGPKYZGO-UHFFFAOYSA-N
XLogP0.69
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine (CID 114102431) is 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC(COC)OC.
What is the InChIKey of 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is MQSHSMIGPKYZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-9-10(12)14-7-15-11(9)13-5-8(17-3)6-16-2/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114102431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).