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

C13H25N5 — CID 72903552

IUPAC4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCN(CC)CC
InChIInChI=1S/C13H25N5/c1-5-11-10(4)16-13(14)17-12(11)15-8-9-18(6-2)7-3/h5-9H2,1-4H3,(H3,14,15,16,17)
InChIKeyFKVOPWWPUCXFFR-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.68
Rot. Bonds7

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

4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 72903552) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID72903552
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCN(CC)CC
InChIInChI=1S/C13H25N5/c1-5-11-10(4)16-13(14)17-12(11)15-8-9-18(6-2)7-3/h5-9H2,1-4H3,(H3,14,15,16,17)
InChIKeyFKVOPWWPUCXFFR-UHFFFAOYSA-N
XLogP1.68
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine (CID 72903552) is 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCCN(CC)CC.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is FKVOPWWPUCXFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-11-10(4)16-13(14)17-12(11)15-8-9-18(6-2)7-3/h5-9H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72903552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).