4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine

C15H29N5O — CID 82456040

IUPAC4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCN(CC)CC)c(N)c(OCC)n1
InChIInChI=1S/C15H29N5O/c1-5-9-12-18-14(13(16)15(19-12)21-8-4)17-10-11-20(6-2)7-3/h5-11,16H2,1-4H3,(H,17,18,19)
InChIKeyCKIDDWJGKXGEAC-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.16
Rot. Bonds10

About 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine (PubChem CID 82456040) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
PubChem CID82456040
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCN(CC)CC)c(N)c(OCC)n1
InChIInChI=1S/C15H29N5O/c1-5-9-12-18-14(13(16)15(19-12)21-8-4)17-10-11-20(6-2)7-3/h5-11,16H2,1-4H3,(H,17,18,19)
InChIKeyCKIDDWJGKXGEAC-UHFFFAOYSA-N
XLogP2.16
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456041
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine (CID 82456040) is 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine is CCCc1nc(NCCN(CC)CC)c(N)c(OCC)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The InChIKey is CKIDDWJGKXGEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-9-12-18-14(13(16)15(19-12)21-8-4)17-10-11-20(6-2)7-3/h5-11,16H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine?
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine has a molecular weight of 295.43 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).