4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine

C9H17N5O2 — CID 118167317

IUPAC4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
SMILESCOc1nc(N)nc(OCCN(C)C)c1N
InChIInChI=1S/C9H17N5O2/c1-14(2)4-5-16-8-6(10)7(15-3)12-9(11)13-8/h4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyMKXHDDMBBQCMEO-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.41
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine

4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine (PubChem CID 118167317) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
PubChem CID118167317
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
SMILESCOc1nc(N)nc(OCCN(C)C)c1N
InChIInChI=1S/C9H17N5O2/c1-14(2)4-5-16-8-6(10)7(15-3)12-9(11)13-8/h4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyMKXHDDMBBQCMEO-UHFFFAOYSA-N
XLogP-0.41
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine (CID 118167317) is 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine is COc1nc(N)nc(OCCN(C)C)c1N.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine?
The InChIKey is MKXHDDMBBQCMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14(2)4-5-16-8-6(10)7(15-3)12-9(11)13-8/h4-5,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine?
4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine has a molecular weight of 227.27 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine is sourced from PubChem (CID 118167317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).