4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

C12H24N6 — CID 80770310

IUPAC4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCN(CC)CC)nc(N)n1
InChIInChI=1S/C12H24N6/c1-4-14-10-9-11(17-12(13)16-10)15-7-8-18(5-2)6-3/h9H,4-8H2,1-3H3,(H4,13,14,15,16,17)
InChIKeySKICYVLEMCNHFL-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.24
Rot. Bonds8

About 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80770310) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80770310
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCN(CC)CC)nc(N)n1
InChIInChI=1S/C12H24N6/c1-4-14-10-9-11(17-12(13)16-10)15-7-8-18(5-2)6-3/h9H,4-8H2,1-3H3,(H4,13,14,15,16,17)
InChIKeySKICYVLEMCNHFL-UHFFFAOYSA-N
XLogP1.24
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 80770310) is 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCCN(CC)CC)nc(N)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is SKICYVLEMCNHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-14-10-9-11(17-12(13)16-10)15-7-8-18(5-2)6-3/h9H,4-8H2,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80770310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).