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

C17H24N4O2 — CID 14434658

IUPAC5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1
InChIInChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)
InChIKeyODEZQIXKNAKLRA-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.81
Rot. Bonds8

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

5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14434658) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14434658
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1
InChIInChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)
InChIKeyODEZQIXKNAKLRA-UHFFFAOYSA-N
XLogP2.81
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 14434658) is 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1.
What is the InChIKey of 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ODEZQIXKNAKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dipropoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14434658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).