4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine

C13H16N4O — CID 102908724

IUPAC4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
SMILESCOCCc1ccccc1Nc1cc(N)ncn1
InChIInChI=1S/C13H16N4O/c1-18-7-6-10-4-2-3-5-11(10)17-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyIPTFBAWQSCGNPY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds5

About 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine

4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 102908724) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID102908724
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
SMILESCOCCc1ccccc1Nc1cc(N)ncn1
InChIInChI=1S/C13H16N4O/c1-18-7-6-10-4-2-3-5-11(10)17-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyIPTFBAWQSCGNPY-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
6-hydrazinyl-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102908957
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
6-N-[2-(2-methoxyethyl)phenyl]-2-N-methylpyridine-2,6-diamine
CID 102908736
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine (CID 102908724) is 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine is COCCc1ccccc1Nc1cc(N)ncn1.
What is the InChIKey of 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is IPTFBAWQSCGNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-7-6-10-4-2-3-5-11(10)17-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine?
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 102908724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).