N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine

C14H17N3O — CID 112751375

IUPACN-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine
SMILESCCNc1nccc(COc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-14-16-8-7-12(17-14)10-18-13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyTWZPABXOUFZCHL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds5

About N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine

N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine (PubChem CID 112751375) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine
PubChem CID112751375
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine
SMILESCCNc1nccc(COc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-14-16-8-7-12(17-14)10-18-13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyTWZPABXOUFZCHL-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine (CID 112751375) is N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine is CCNc1nccc(COc2cccc(C)c2)n1.
What is the InChIKey of N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine?
The InChIKey is TWZPABXOUFZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-15-14-16-8-7-12(17-14)10-18-13-6-4-5-11(2)9-13/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine?
N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112751375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).