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

C11H21N5 — CID 23422078

IUPAC4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1cc(C)nc(N)n1
InChIInChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-10-8-9(3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyLCOFVCJZEGARPK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds6

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

4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 23422078) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID23422078
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1cc(C)nc(N)n1
InChIInChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-10-8-9(3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyLCOFVCJZEGARPK-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
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]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 23422078) is 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is CCN(CC)CCNc1cc(C)nc(N)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is LCOFVCJZEGARPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-10-8-9(3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 6 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]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 23422078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).