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

C14H19N5O — CID 112911345

IUPAC4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C14H19N5O/c1-11-8-13(16-6-7-20-2)19-14(18-11)17-10-12-4-3-5-15-9-12/h3-5,8-9H,6-7,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyKOCMVAKVFNSUMK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds7

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

4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112911345) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112911345
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C14H19N5O/c1-11-8-13(16-6-7-20-2)19-14(18-11)17-10-12-4-3-5-15-9-12/h3-5,8-9H,6-7,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyKOCMVAKVFNSUMK-UHFFFAOYSA-N
XLogP1.85
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117079433
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919423
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
6-methyl-4-N-(pyridin-3-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112919540
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112911345) is 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is COCCNc1cc(C)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KOCMVAKVFNSUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-8-13(16-6-7-20-2)19-14(18-11)17-10-12-4-3-5-15-9-12/h3-5,8-9H,6-7,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).