6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine

C14H18N4O — CID 123616944

IUPAC6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc(C)c1Oc1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-9-16-13-12(10(2)17-14(15)18-13)19-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyYRBLWFZCQHYMAC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.98
Rot. Bonds5

About 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine

6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine (PubChem CID 123616944) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine
PubChem CID123616944
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc(C)c1Oc1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-9-16-13-12(10(2)17-14(15)18-13)19-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyYRBLWFZCQHYMAC-UHFFFAOYSA-N
XLogP2.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine (CID 123616944) is 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine is CCCNc1nc(N)nc(C)c1Oc1ccccc1.
What is the InChIKey of 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is YRBLWFZCQHYMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-9-16-13-12(10(2)17-14(15)18-13)19-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine?
6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenoxy-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 123616944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).