2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine

C14H27N5 — CID 112913006

IUPAC2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C14H27N5/c1-5-6-7-8-15-13-11-12(2)17-14(18-13)16-9-10-19(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyIXYPBSLKBVQXNY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.36
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112913006) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112913006
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C14H27N5/c1-5-6-7-8-15-13-11-12(2)17-14(18-13)16-9-10-19(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyIXYPBSLKBVQXNY-UHFFFAOYSA-N
XLogP2.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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

4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112912785
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913490

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine (CID 112913006) is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NCCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is IXYPBSLKBVQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-6-7-8-15-13-11-12(2)17-14(18-13)16-9-10-19(3)4/h11H,5-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112913006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).