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

C12H15N5O — CID 80877500

IUPAC4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2cccnc2C)nc(N)n1
InChIInChI=1S/C12H15N5O/c1-3-14-10-7-11(17-12(13)16-10)18-9-5-4-6-15-8(9)2/h4-7H,3H2,1-2H3,(H3,13,14,16,17)
InChIKeyPHLMCUQTSNNWBB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.99
Rot. Bonds4

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

4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 80877500) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID80877500
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2cccnc2C)nc(N)n1
InChIInChI=1S/C12H15N5O/c1-3-14-10-7-11(17-12(13)16-10)18-9-5-4-6-15-8(9)2/h4-7H,3H2,1-2H3,(H3,13,14,16,17)
InChIKeyPHLMCUQTSNNWBB-UHFFFAOYSA-N
XLogP1.99
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 80882701
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
CID 107745130
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 80877500) is 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is CCNc1cc(Oc2cccnc2C)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is PHLMCUQTSNNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-14-10-7-11(17-12(13)16-10)18-9-5-4-6-15-8(9)2/h4-7H,3H2,1-2H3,(H3,13,14,16,17).
What are the key properties of 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 80877500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).