2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 112873406

IUPAC2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCc2cccnc2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-3-4-5-9-18-15-10-16(21-13(2)20-15)19-12-14-7-6-8-17-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyMRDZEDYCZWRBTL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds8

About 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873406) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873406
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCc2cccnc2)nc(C)n1
InChIInChI=1S/C16H23N5/c1-3-4-5-9-18-15-10-16(21-13(2)20-15)19-12-14-7-6-8-17-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyMRDZEDYCZWRBTL-UHFFFAOYSA-N
XLogP3.39
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.39
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-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 55168209
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112873466
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112873406) is 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CCCCCNc1cc(NCc2cccnc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MRDZEDYCZWRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-4-5-9-18-15-10-16(21-13(2)20-15)19-12-14-7-6-8-17-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).