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

C12H15N5 — CID 78942063

IUPAC6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C12H15N5/c1-8-4-3-5-14-10(8)7-15-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyAYCRUPDLVHJOFJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.68
Rot. Bonds3

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

6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 78942063) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID78942063
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C12H15N5/c1-8-4-3-5-14-10(8)7-15-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyAYCRUPDLVHJOFJ-UHFFFAOYSA-N
XLogP1.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950009
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403
6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115416985
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 78942063) is 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is Cc1cc(NCc2ncccc2C)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AYCRUPDLVHJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-4-3-5-14-10(8)7-15-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78942063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).