4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

C14H27N5O — CID 82458254

IUPAC4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCCN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-6-20-14-12(15)13(16-7-8-19(4)5)17-11(18-14)9-10(2)3/h10H,6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyQHWPAJCUSQBKKC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.63
Rot. Bonds8

About 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458254) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458254
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCCN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-6-20-14-12(15)13(16-7-8-19(4)5)17-11(18-14)9-10(2)3/h10H,6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyQHWPAJCUSQBKKC-UHFFFAOYSA-N
XLogP1.63
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458254) is 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is CCOc1nc(CC(C)C)nc(NCCN(C)C)c1N.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is QHWPAJCUSQBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-20-14-12(15)13(16-7-8-19(4)5)17-11(18-14)9-10(2)3/h10H,6-9,15H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).