5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine

C18H22N4O — CID 14570150

IUPAC5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
SMILESC/C=C/c1cc(Cc2cnc(N)nc2N)cc(/C=C/C)c1OC
InChIInChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-9,11H,10H2,1-3H3,(H4,19,20,21,22)/b6-4+,7-5+
InChIKeyUOIQTDSJJJBQGF-YDFGWWAZSA-N
MW310.40 g/mol
LogP3.31
Rot. Bonds5

About 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine

5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 14570150) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID14570150
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
SMILESC/C=C/c1cc(Cc2cnc(N)nc2N)cc(/C=C/C)c1OC
InChIInChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-9,11H,10H2,1-3H3,(H4,19,20,21,22)/b6-4+,7-5+
InChIKeyUOIQTDSJJJBQGF-YDFGWWAZSA-N
XLogP3.31
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine (CID 14570150) is 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine is C/C=C/c1cc(Cc2cnc(N)nc2N)cc(/C=C/C)c1OC.
What is the InChIKey of 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is UOIQTDSJJJBQGF-YDFGWWAZSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-9,11H,10H2,1-3H3,(H4,19,20,21,22)/b6-4+,7-5+.
What are the key properties of 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 310.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3,5-bis[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).