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

C12H23N5 — CID 80769927

IUPAC4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1cc(NC)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-7-14-12-9-11(13-4)15-10(3)16-12/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyPPDUGJHPRCWACL-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds7

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

4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80769927) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80769927
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1cc(NC)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-7-14-12-9-11(13-4)15-10(3)16-12/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyPPDUGJHPRCWACL-UHFFFAOYSA-N
XLogP1.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82454422
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
CID 100984113

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80769927) is 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine is CCN(CC)CCNc1cc(NC)nc(C)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is PPDUGJHPRCWACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-17(6-2)8-7-14-12-9-11(13-4)15-10(3)16-12/h9H,5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.58, 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]-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).