5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine

C10H17ClN4O — CID 106812458

IUPAC5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-4-16-10(2,3)5-13-9-7(11)8(12)14-6-15-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyPNKAOSTXGOLNFY-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.94
Rot. Bonds5

About 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 106812458) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID106812458
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-4-16-10(2,3)5-13-9-7(11)8(12)14-6-15-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyPNKAOSTXGOLNFY-UHFFFAOYSA-N
XLogP1.94
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine (CID 106812458) is 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine is CCOC(C)(C)CNc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is PNKAOSTXGOLNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-4-16-10(2,3)5-13-9-7(11)8(12)14-6-15-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 244.73 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106812458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).