5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine

C18H26N6 — CID 56793797

IUPAC5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
SMILESCc1cc(N2CCN(c3ccc(N)nc3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H26N6/c1-13-11-16(22-17(21-13)18(2,3)4)24-9-7-23(8-10-24)14-5-6-15(19)20-12-14/h5-6,11-12H,7-10H2,1-4H3,(H2,19,20)
InChIKeyUNGSBCGRWFVBDD-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.39
Rot. Bonds2

About 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine

5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine (PubChem CID 56793797) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
PubChem CID56793797
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
SMILESCc1cc(N2CCN(c3ccc(N)nc3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H26N6/c1-13-11-16(22-17(21-13)18(2,3)4)24-9-7-23(8-10-24)14-5-6-15(19)20-12-14/h5-6,11-12H,7-10H2,1-4H3,(H2,19,20)
InChIKeyUNGSBCGRWFVBDD-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine (CID 56793797) is 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine is Cc1cc(N2CCN(c3ccc(N)nc3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is UNGSBCGRWFVBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-11-16(22-17(21-13)18(2,3)4)24-9-7-23(8-10-24)14-5-6-15(19)20-12-14/h5-6,11-12H,7-10H2,1-4H3,(H2,19,20).
What are the key properties of 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine?
5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 56793797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).