4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine

C11H21N5 — CID 80833362

IUPAC4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(C)CCNc1ncnc(NC)c1C
InChIInChI=1S/C11H21N5/c1-5-16(4)7-6-13-11-9(2)10(12-3)14-8-15-11/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyNDHPKVOEXBXSCT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.19
Rot. Bonds6

About 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80833362) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80833362
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(C)CCNc1ncnc(NC)c1C
InChIInChI=1S/C11H21N5/c1-5-16(4)7-6-13-11-9(2)10(12-3)14-8-15-11/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyNDHPKVOEXBXSCT-UHFFFAOYSA-N
XLogP1.19
TPSA53.08 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176076
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80825153
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80833362) is 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCN(C)CCNc1ncnc(NC)c1C.
What is the InChIKey of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is NDHPKVOEXBXSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-16(4)7-6-13-11-9(2)10(12-3)14-8-15-11/h8H,5-7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).