4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine

C19H23N7O — CID 56720443

IUPAC4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCc1ncc2c(c1-c1noc(-c3cc(CC(C)C)nc(N)n3)n1)CCNC2
InChIInChI=1S/C19H23N7O/c1-10(2)6-13-7-15(24-19(20)23-13)18-25-17(26-27-18)16-11(3)22-9-12-8-21-5-4-14(12)16/h7,9-10,21H,4-6,8H2,1-3H3,(H2,20,23,24)
InChIKeyLARDFTPXMIRGTO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds4

About 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine

4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (PubChem CID 56720443) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
PubChem CID56720443
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCc1ncc2c(c1-c1noc(-c3cc(CC(C)C)nc(N)n3)n1)CCNC2
InChIInChI=1S/C19H23N7O/c1-10(2)6-13-7-15(24-19(20)23-13)18-25-17(26-27-18)16-11(3)22-9-12-8-21-5-4-14(12)16/h7,9-10,21H,4-6,8H2,1-3H3,(H2,20,23,24)
InChIKeyLARDFTPXMIRGTO-UHFFFAOYSA-N
XLogP2.32
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (CID 56720443) is 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is Cc1ncc2c(c1-c1noc(-c3cc(CC(C)C)nc(N)n3)n1)CCNC2.
What is the InChIKey of 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The InChIKey is LARDFTPXMIRGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-10(2)6-13-7-15(24-19(20)23-13)18-25-17(26-27-18)16-11(3)22-9-12-8-21-5-4-14(12)16/h7,9-10,21H,4-6,8H2,1-3H3,(H2,20,23,24).
What are the key properties of 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-6-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 56720443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).