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

C19H22N6 — CID 126820929

IUPAC5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cncc(CNc2ncnc(NCc3cncc(C)c3)c2C)c1
InChIInChI=1S/C19H22N6/c1-13-4-16(8-20-6-13)10-22-18-15(3)19(25-12-24-18)23-11-17-5-14(2)7-21-9-17/h4-9,12H,10-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyLTKKUGAXBFLISN-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.42
Rot. Bonds6

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

5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 126820929) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID126820929
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cncc(CNc2ncnc(NCc3cncc(C)c3)c2C)c1
InChIInChI=1S/C19H22N6/c1-13-4-16(8-20-6-13)10-22-18-15(3)19(25-12-24-18)23-11-17-5-14(2)7-21-9-17/h4-9,12H,10-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyLTKKUGAXBFLISN-UHFFFAOYSA-N
XLogP3.42
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-chloro-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 102879048
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 126820929) is 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is Cc1cncc(CNc2ncnc(NCc3cncc(C)c3)c2C)c1.
What is the InChIKey of 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is LTKKUGAXBFLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-4-16(8-20-6-13)10-22-18-15(3)19(25-12-24-18)23-11-17-5-14(2)7-21-9-17/h4-9,12H,10-11H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126820929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).