2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine

C13H17N5 — CID 80831875

IUPAC2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2nc(C)nc(N)c2C)cn1
InChIInChI=1S/C13H17N5/c1-8-4-5-11(6-15-8)7-16-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,16,17,18)
InChIKeyONMQNAOFXACSKB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds3

About 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine

2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80831875) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID80831875
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2nc(C)nc(N)c2C)cn1
InChIInChI=1S/C13H17N5/c1-8-4-5-11(6-15-8)7-16-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,16,17,18)
InChIKeyONMQNAOFXACSKB-UHFFFAOYSA-N
XLogP1.99
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
2,5-dimethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80795260
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80822600
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831876
4-N-[(6-methyl-3-pyridinyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80831700
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
3,6-dichloro-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-triazin-5-amine
CID 81036548
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 80831875) is 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is Cc1ccc(CNc2nc(C)nc(N)c2C)cn1.
What is the InChIKey of 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ONMQNAOFXACSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-4-5-11(6-15-8)7-16-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,16,17,18).
What are the key properties of 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80831875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).