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

C18H24N4O — CID 44531519

IUPAC5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCC=Cc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
InChIInChI=1S/C18H24N4O/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/h4,6,8-9,11H,5,7,10H2,1-3H3,(H4,19,20,21,22)
InChIKeyBDMAAZZKFXTEHD-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.23
Rot. Bonds6

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

5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 44531519) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID44531519
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCC=Cc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
InChIInChI=1S/C18H24N4O/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/h4,6,8-9,11H,5,7,10H2,1-3H3,(H4,19,20,21,22)
InChIKeyBDMAAZZKFXTEHD-UHFFFAOYSA-N
XLogP3.23
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.23
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-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine (CID 44531519) is 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine is CC=Cc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC.
What is the InChIKey of 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BDMAAZZKFXTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/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/h4,6,8-9,11H,5,7,10H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3-prop-1-enyl-5-propylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44531519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).