6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine

C14H27N5 — CID 115263934

IUPAC6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1cc(NCC(C)(C)N)ncn1
InChIInChI=1S/C14H27N5/c1-5-6-7-8-19(4)13-9-12(17-11-18-13)16-10-14(2,3)15/h9,11H,5-8,10,15H2,1-4H3,(H,16,17,18)
InChIKeyRJCZFECNZFAONO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.25
Rot. Bonds8

About 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine

6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine (PubChem CID 115263934) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
PubChem CID115263934
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1cc(NCC(C)(C)N)ncn1
InChIInChI=1S/C14H27N5/c1-5-6-7-8-19(4)13-9-12(17-11-18-13)16-10-14(2,3)15/h9,11H,5-8,10,15H2,1-4H3,(H,16,17,18)
InChIKeyRJCZFECNZFAONO-UHFFFAOYSA-N
XLogP2.25
TPSA67.07 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 ≤ 52.25
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

[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
CID 115264458
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
[6-(2,2-dimethylpropylamino)pyrimidin-4-yl]-methylcyanamide
CID 115266078

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine (CID 115263934) is 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine is CCCCCN(C)c1cc(NCC(C)(C)N)ncn1.
What is the InChIKey of 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine?
The InChIKey is RJCZFECNZFAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-6-7-8-19(4)13-9-12(17-11-18-13)16-10-14(2,3)15/h9,11H,5-8,10,15H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine?
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 115263934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).