2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine

C17H24N4O — CID 82455686

IUPAC2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C17H24N4O/c1-4-11-22-17-15(18)16(20-14(5-2)21-17)19-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,18H2,1-3H3,(H,19,20,21)
InChIKeyBBGOOKSJGIKHAF-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.58
Rot. Bonds7

About 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine

2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82455686) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82455686
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C17H24N4O/c1-4-11-22-17-15(18)16(20-14(5-2)21-17)19-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,18H2,1-3H3,(H,19,20,21)
InChIKeyBBGOOKSJGIKHAF-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 82458941
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1111822

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine (CID 82455686) is 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(CC)nc(NC(C)c2ccccc2)c1N.
What is the InChIKey of 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is BBGOOKSJGIKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-11-22-17-15(18)16(20-14(5-2)21-17)19-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,18H2,1-3H3,(H,19,20,21).
What are the key properties of 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine?
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).