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

C12H23N5 — CID 80819158

IUPAC4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)N(C)C)c1C
InChIInChI=1S/C12H23N5/c1-6-13-11-10(3)12(16-8-15-11)14-7-9(2)17(4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyBNTNHGQPEZDRFW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds6

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

4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80819158) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80819158
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)N(C)C)c1C
InChIInChI=1S/C12H23N5/c1-6-13-11-10(3)12(16-8-15-11)14-7-9(2)17(4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyBNTNHGQPEZDRFW-UHFFFAOYSA-N
XLogP1.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80819158) is 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCC(C)N(C)C)c1C.
What is the InChIKey of 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is BNTNHGQPEZDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-6-13-11-10(3)12(16-8-15-11)14-7-9(2)17(4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80819158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).