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

C15H21N5 — CID 112908111

IUPAC4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C15H21N5/c1-3-4-8-17-14-9-12(2)19-15(20-14)18-11-13-6-5-7-16-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyALVUIVGKEHZMQN-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.00
Rot. Bonds7

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

4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112908111) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112908111
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C15H21N5/c1-3-4-8-17-14-9-12(2)19-15(20-14)18-11-13-6-5-7-16-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyALVUIVGKEHZMQN-UHFFFAOYSA-N
XLogP3.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.00
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-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112911345
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117079433
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
4-N-cycloheptyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919599

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112908111) is 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCCCNc1cc(C)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ALVUIVGKEHZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-4-8-17-14-9-12(2)19-15(20-14)18-11-13-6-5-7-16-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112908111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).