5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine

C14H18N4O — CID 10658874

IUPAC5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyPGKKENSSRKRVNX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds5

About 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10658874) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10658874
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyPGKKENSSRKRVNX-UHFFFAOYSA-N
XLogP2.02
TPSA87.05 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
Ormetoprim
CID 23418
Tetroxoprim
CID 65450
Zotiraciclib
CID 16739650
2,4-Diamino-5-piperonylpyrimidine
CID 26341
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
5-(4-Methoxy-2-(propan-2-yl)phenoxy)pyrimidine-2,4-diamine
CID 16117816
GW-2580
CID 11617559
Aditeren
CID 176875
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-
CID 88496

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10658874) is 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCOc1cccc(Cc2cnc(N)nc2N)c1.
What is the InChIKey of 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PGKKENSSRKRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10658874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).