6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

C14H27N5 — CID 106042300

IUPAC6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCCN(C)C(C)C)c1C
InChIInChI=1S/C14H27N5/c1-6-15-13-12(4)14(18-10-17-13)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyBMTGTYJKWOVEOC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.36
Rot. Bonds8

About 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (PubChem CID 106042300) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
PubChem CID106042300
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCCN(C)C(C)C)c1C
InChIInChI=1S/C14H27N5/c1-6-15-13-12(4)14(18-10-17-13)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyBMTGTYJKWOVEOC-UHFFFAOYSA-N
XLogP2.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
6-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]-5-nitropyrimidine-4,6-diamine
CID 106042282
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80795484
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (CID 106042300) is 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCCCN(C)C(C)C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The InChIKey is BMTGTYJKWOVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-15-13-12(4)14(18-10-17-13)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106042300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).