2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C15H21N5 — CID 80822100

IUPAC2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2cccc(C)n2)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-8-16-14-9-15(20-12(3)19-14)17-10-13-7-5-6-11(2)18-13/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17,19,20)
InChIKeyBYJGMCJNKMIKKG-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80822100) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80822100
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2cccc(C)n2)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-8-16-14-9-15(20-12(3)19-14)17-10-13-7-5-6-11(2)18-13/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17,19,20)
InChIKeyBYJGMCJNKMIKKG-UHFFFAOYSA-N
XLogP2.92
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80821682
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822689
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80822100) is 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2cccc(C)n2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BYJGMCJNKMIKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-8-16-14-9-15(20-12(3)19-14)17-10-13-7-5-6-11(2)18-13/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80822100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).