6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

C14H19N5O2 — CID 82455574

IUPAC6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1nc(C)nc(NCc2cccnc2)c1N
InChIInChI=1S/C14H19N5O2/c1-10-18-13(17-9-11-4-3-5-16-8-11)12(15)14(19-10)21-7-6-20-2/h3-5,8H,6-7,9,15H2,1-2H3,(H,17,18,19)
InChIKeyGRJMLCXHEATGKH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.40
Rot. Bonds7

About 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82455574) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82455574
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCOCCOc1nc(C)nc(NCc2cccnc2)c1N
InChIInChI=1S/C14H19N5O2/c1-10-18-13(17-9-11-4-3-5-16-8-11)12(15)14(19-10)21-7-6-20-2/h3-5,8H,6-7,9,15H2,1-2H3,(H,17,18,19)
InChIKeyGRJMLCXHEATGKH-UHFFFAOYSA-N
XLogP1.40
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
methyl 4-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate
CID 22542700
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471732
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
methyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 22542814

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (CID 82455574) is 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is COCCOc1nc(C)nc(NCc2cccnc2)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is GRJMLCXHEATGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-18-13(17-9-11-4-3-5-16-8-11)12(15)14(19-10)21-7-6-20-2/h3-5,8H,6-7,9,15H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 289.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).