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

C15H21N5 — CID 80822689

IUPAC5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cccc(C)n2)c1C
InChIInChI=1S/C15H21N5/c1-4-8-16-14-12(3)15(19-10-18-14)17-9-13-7-5-6-11(2)20-13/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyFZTDOHNQBMVCLR-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.92
Rot. Bonds6

About 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine

5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80822689) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80822689
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cccc(C)n2)c1C
InChIInChI=1S/C15H21N5/c1-4-8-16-14-12(3)15(19-10-18-14)17-9-13-7-5-6-11(2)20-13/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyFZTDOHNQBMVCLR-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
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80822600
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80822689) is 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2cccc(C)n2)c1C.
What is the InChIKey of 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FZTDOHNQBMVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-8-16-14-12(3)15(19-10-18-14)17-9-13-7-5-6-11(2)20-13/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-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 5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80822689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).